JAZL/ChemGist-CHON huggingface dataset:
Compound: Butyronitrile
SMILES: N#CCCC
InChIKey: KVNRLNFWIYMESJ-UHFFFAOYSA-N
Synonyms: Butyronitrile, BUTANENITRILE, Propyl cyanide, N-Butyronitrile, 109-74-0, 1-Cyanopropane, Butyric acid nitrile, n-Propyl cyanide, Butyrylonitrile, n-Butanenitrile, Propylkyanid, Butane nitrile, n-Butanitrile, O3V36V0W0M, NSC-8412, DTXSID1026823, CHEBI:51937, RefChem:122371, DTXCID006823, 203-700-6, NSC 8412, MFCD00001968, Butyronitrile, >=99%, Propylkyanid [Czech], HSDB 5013, EINECS 203-700-6, UN2411, BRN 1361452, butyronitile, butyronitril, UNII-O3V36V0W0M, AI3-08778, n-PrCN, Butyronitrile, 98%, n-C3H7CN, BUTYRONITRILE [MI], EC 203-700-6, WLN: NC3, BUTANENITRILE [HSDB], SCHEMBL22627, SCHEMBL22628, SCHEMBL37970, 4-02-00-00806 (Beilstein Handbook Reference), SCHEMBL237977, SCHEMBL444939, SCHEMBL4687437, SCHEMBL5499380, NSC8412, Butyronitrile, analytical standard, MSK005094, STL168041, AKOS000200378, UN 2411, Butyronitrile, purum, >=99.0% (GC), B0768, NS00001927, Butyronitrile [UN2411]  [Flammable liquid], EN300-27284, Q420835, InChI=1/C4H7N/c1-2-3-4-5/h2-3H2,1H, F0001-0203, Z238878246
Theoretical properties:
molecular_formula: C4H7N
molecular_weight: 69.11 g/mol
exact_mass: 69.057849228 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 1
heavy_atom_count: 5
topological_polar_surface_area: 23.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Sharp, suffocating odor.
boiling_point: 244 °F at 760 mmHg (USCG, 1999)
melting_point: -171 °F (USCG, 1999)
density: 0.7936 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 3 % at 77 °F (NIOSH, 2024)
flash_point: 62 °F (USCG, 1999)
vapor_pressure: 20.68 mmHg (USCG, 1999)
Descriptions:
pubchem: Butyronitrile is a nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a propyl group.
chebi: A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a propyl group.
wikipedia: Butyronitrile or butanenitrile or propyl cyanide, is a nitrile with the formula C3H7CN. This colorless liquid is miscible with most polar organic solvents.
Compound: ETHYL NITRATE
SMILES: O=[N+](OCC)[O-]
InChIKey: IDNUEBSJWINEMI-UHFFFAOYSA-N
Synonyms: ETHYL NITRATE, 625-58-1, Nitric ether, Nitric acid, ethyl ester, Ethylester kyseliny dusicne, E1ZT886LR5, NSC-8826, DTXSID0060806, NSC8826, RefChem:139016, DTXCID7043374, 210-903-3, nitric acid ethyl ester, HSDB 415, Ethylester kyseliny dusicne [Czech], NSC 8826, EINECS 210-903-3, BRN 1700275, UNII-E1ZT886LR5, AI3-24234, EtONO2, ETHYLUM NITRICUM, WLN: WNO2, C2H5ONO2, ETHYL NITRATE [HSDB], SCHEMBL325896, SCHEMBL2058433, SCHEMBL2187114, ETHYLUM NITRICUM [HPUS], IDNUEBSJWINEMI-UHFFFAOYSA-, AKOS006277934, NA 1993, DB-319540, NS00035073, Q417028, InChI=1/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3
Theoretical properties:
molecular_formula: C2H5NO3
molecular_weight: 91.07 g/mol
exact_mass: 91.026943022 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 6
topological_polar_surface_area: 55.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Pleasant odor
boiling_point: 87.2 °C @ 762 mm Hg
melting_point: -94.6 °C
density: 1.1084 @ 20 °C/4 °C
solubility: Sol in alcohol and ether; insoluble in water
flash_point: 50 °F (NFPA, 2010)
vapor_pressure: 64.0 [mmHg]
Descriptions:
wikipedia: Ethyl nitrate is the ethyl ester of nitric acid and has the chemical formula CH3CH2NO3. It is a colourless, volatile, explosive, and extremely flammable liquid. It is used in organic synthesis with use as a nitrating agent and as an intermediate in the preparation of some drugs, dyes, and perfumes. Like nitroglycerin, it's a vasodilator.
Compound: METHYL NITRATE
SMILES: O=[N+](OC)[O-]
InChIKey: LRMHVVPPGGOAJQ-UHFFFAOYSA-N
Synonyms: METHYL NITRATE, nitric acid methyl ester, 598-58-3, Nitric acid, methyl ester, Methylester kyseliny dusicne, LAD9RT85ES, DTXSID4073205, RefChem:157962, DTXCID4042705, 209-941-3, Methyl nitrate [Forbidden], EINECS 209-941-3, Methylester kyseliny dusicne [Czech], UNII-LAD9RT85ES, BRN 1699872, CH3ONO2, METHYL NITRATE [MI], SCHEMBL26838, 4-01-00-01254 (Beilstein Handbook Reference), SCHEMBL4246311, SCHEMBL10367089, NS00043249, Q425393
Theoretical properties:
molecular_formula: CH3NO3
molecular_weight: 77.040 g/mol
exact_mass: 77.011292958 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 5
topological_polar_surface_area: 55.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
vapor_pressure: 180.0 [mmHg]
Descriptions:
wikipedia: Methyl nitrate is the methyl ester of nitric acid and has the chemical formula CH3NO3. It is a colourless explosive volatile liquid.
Compound: Hygrine
SMILES: O=C(C[C@@H]1N(CCC1)C)C
InChIKey: ADKXZIOQKHHDNQ-MRVPVSSYSA-N
Synonyms: Hygrine, 496-49-1, (+)-Hygrine, (R)-(+)-Hygrine, 1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one, (+)-N-Methyl-2-acetonylpyrrolidine, 49H1LNM62X, 1-(1-Methyl-2-pyrrolidinyl)-2-propanone, CHEBI:46750, DTXSID40894081, 2-PROPANONE, 1-((2R)-1-METHYL-2-PYRROLIDINYL)-, 1-((2R)-1-methylpyrrolidin-2-yl)propan-2-one, RefChem:147294, DTXCID701324123, 207-822-0, (R)-hygrine, 1-[(2R)-1-methylpyrrolidin-2-yl]acetone, (R)-1-(1-methyl-2-pyrrolidinyl)-2-propanone, (R)-1-(1-Methylpyrrolidin-2-yl)propan-2-one, UNII-49H1LNM62X, Hygrin, N-Methyl-2-acetonylpyrrolidine, (R)-, EINECS 207-822-0, HYGRINE [MI], 1-((2R)-1-METHYL-2-PYRROLIDINYL)-2-PROPANONE, HYGRINE, (+)-, SCHEMBL335689, AKOS016023684, NS00043001, C06179, Q2376404
Theoretical properties:
molecular_formula: C8H15NO
molecular_weight: 141.21 g/mol
exact_mass: 141.115364102 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 10
topological_polar_surface_area: 20.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Hygrine is a 1-(1-methylpyrrolidin-2-yl)acetone that has R configuration. It is a pyrrolidine alkaloid found in the coca plant, Erythroxylum coca. It has a role as a plant metabolite. It is a pyrrolidine alkaloid and a 1-(1-methylpyrrolidin-2-yl)acetone. It is an enantiomer of a (-)-hygrine.
chebi: A 1-(1-methylpyrrolidin-2-yl)acetone that has <i>R</i> configuration. It is a pyrrolidine alkaloid found in the coca plant, <em>Erythroxylum coca</em>.
wikipedia: Hygrine is a pyrrolidine alkaloid, found mainly in coca leaves (0.2%). It was first isolated by Carl Liebermann in 1889 (along with a related compound cuscohygrine) as an alkaloid accompanying cocaine in coca. Hygrine is extracted as a thick yellow oil, having a pungent taste and odor.
Compound: PROPIONAMIDE
SMILES: O=C(N)CC
InChIKey: QLNJFJADRCOGBJ-UHFFFAOYSA-N
Synonyms: PROPIONAMIDE, Propanamide, 79-05-0, Propylamide, Propionic amide, Propionic acid amide, Propanimidic acid, Propionimidic acid, Amid kyseliny propionove, QK07G0HP47, DTXSID3058820, NSC-38708, CHEBI:45422, RefChem:6167, DTXCID5048134, 201-172-1, MFCD00008039, Propanimidic acid (VAN), Propionimidic acid (VAN), NSC 38708, Amid kyseliny propionove [Czech], EINECS 201-172-1, BRN 0969258, UNII-QK07G0HP47, AI3-21217, n-propionic amide, ethane, carbamoyl-, Propionamide, 97%, PROPIONAMIDE [MI], SCHEMBL6361, WLN: ZV2, SCHEMBL24782, SCHEMBL26923, SCHEMBL26924, 4-02-00-00725 (Beilstein Handbook Reference), SCHEMBL250341, orb3023638, SCHEMBL3563592, SCHEMBL4355976, SCHEMBL5685592, SCHEMBL6546360, CHEMBL1235716, SCHEMBL15660465, SCHEMBL30089574, NSC38708, STR08476, EBC-48213, STL363023, AKOS005177582, CS-W016688, DB04161, FP03362, SY048276, DB-031910, NS00038021, P0499, EN300-15614, Propionamide, Vetec(TM) reagent grade, 97%, O12053, F069325, J-524060, Q3082378, Z33546482, F0001-2069, InChI=1/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5
Theoretical properties:
molecular_formula: C3H7NO
molecular_weight: 73.09 g/mol
exact_mass: 73.052763847 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 1
heavy_atom_count: 5
topological_polar_surface_area: 43.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
vapor_pressure: 0.03 [mmHg]
Descriptions:
pubchem: Propionamide is a monocarboxylic acid amide obtained by the formal condensation of propionic acid with ammonia. It is a primary fatty amide and a monocarboxylic acid amide. It is functionally related to a propionic acid.
chebi: A  monocarboxylic acid amide obtained by the formal condensation of propionic acid with ammonia.
chembl: PROPIONAMIDE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Propanamide has the chemical formula CH3CH2C=O(NH2). It is the amide of propanoic acid. 
This organic compound is a mono-substituted amide. Organic compounds of the amide group can react in many different organic processes to form other useful compounds for synthesis.
Compound: Butyramide
SMILES: O=C(N)CCC
InChIKey: DNSISZSEWVHGLH-UHFFFAOYSA-N
Synonyms: Butyramide, Butanamide, 541-35-5, n-Butyramide, Butanimidic acid, N-BUTYLAMIDE, Butanoic acid, amide, 9J6OR937VR, NSC-8424, DTXSID8060248, FEMA NO. 4252, CHEBI:50724, RefChem:122350, DTXCID2041595, 208-776-4, MFCD00041894, n-C3H7C(O)NH2, butyrylamide, Butanimidic Acid; NSC 8424; n-Butylamide; n-Butyramide;, UNII-9J6OR937VR, Butyramid, n-butanamide, HSDB 5684, NSC 8424, Amide C4, EINECS 208-776-4, propane, 1-carbamoyl-, AI3-24199, BUTYRAMIDE [FHFI], N-BUTYRAMIDE [MI], SCHEMBL5681, N-BUTYLAMIDE [HSDB], SCHEMBL80324, SCHEMBL94911, C3H7C(O)NH2, SCHEMBL198752, orb2939810, SCHEMBL1289854, SCHEMBL4097818, SCHEMBL5609716, SCHEMBL6545824, SCHEMBL7773252, SCHEMBL8555402, SCHEMBL9038583, CHEMBL1231396, SCHEMBL30293876, DNSISZSEWVHGLH-UHFFFAOYSA-, Butyramide, >=98.0% (T), NSC8424, EBC-47547, LMFA08010018, AKOS008937485, DB02121, HY-W088319, SY038223, B0809, CS-0130522, NS00022341, EN300-61108, D70204, F356018, Q5003189, Z33546461, InChI=1/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)
Theoretical properties:
molecular_formula: C4H9NO
molecular_weight: 87.12 g/mol
exact_mass: 87.068413911 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 2
heavy_atom_count: 6
topological_polar_surface_area: 43.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystals
color: Crystals
density: 0.8850 @ 120 °C
vapor_pressure: 0.00391 [mmHg]
Descriptions:
pubchem: Butanamide is a monocarboxylic acid amide obtained by formal condensation of butanoic acid and ammonia. It is a primary fatty amide and a member of butanamides.
chebi: A monocarboxylic acid amide obtained by formal condensation of butanoic acid and ammonia.
chembl: BUTYRAMIDE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Butyramide is the amide of butyric acid.  It has the molecular formula C3H7CONH2.  It is a white solid that is freely soluble in water and ethanol, but slightly soluble in diethyl ether. At room temperature, butyramide is a crystalline solid and in contrast to butyric acid, it is devoid of an unpleasant, rancid smell.
SMILES: O=C(OC(C)C)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1CC[C@@H](O)CCc2ccccc2)O
InChIKey: GGXICVAJURFBLW-CEYXHVGTSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A prostaglandin F<small><sub>α</sub></small> that is the isopropyl ester prodrug of latanoprost free acid. Used in the treatment of open-angle glaucoma and ocular hypertension.
chembl: LATANOPROST is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
Compound: 2,4-Oxazolidinedione
SMILES: O=C1OCC(N1)=O
InChIKey: COWNFYYYZFRNOY-UHFFFAOYSA-N
Synonyms: 2,4-Oxazolidinedione, 2346-26-1, 2,4-Oxazolidenedione, NSC-120350, R22D15229R, DTXSID60894083, RefChem:443942, DTXCID401324124, OXAZOLIDINE-2,4-DIONE, 1,3-oxazolidine-2,4-dione, Oxazolidinedione, MFCD02691902, NSC 120350, 12770-97-7, 1,3-oxazolidin-2,4-dione, CMLDBU00003511, hydroxyoxazolinone, UNII-R22D15229R, 2,4oxazolidinedione, SCHEMBL123971, SCHEMBL260056, SCHEMBL427454, SCHEMBL962066, orb3027268, SCHEMBL4119295, SCHEMBL8159831, SCHEMBL8159833, SCHEMBL8628118, SCHEMBL11358085, COWNFYYYZFRNOY-UHFFFAOYSA-N, NSC120350, AKOS002529400, DA-18172, DS-15871, SY112847, CS-0005564, EN300-332505, F20602, F223293, Q5194235, Z56762271, F2167-1227
Theoretical properties:
molecular_formula: C3H3NO3
molecular_weight: 101.06 g/mol
exact_mass: 101.011292958 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 7
topological_polar_surface_area: 55.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: 2,4-Oxazolidinedione is an organic compound with the formula HN(CO)2OCH2.  It is a white solid.  It is the parent structure for a variety anticonvulsant drugs.  The parent compound itself is obtained by treating chloroacetamide with bicarbonate.
Compound: phenmetrazine
SMILES: O1C(c2ccccc2)C(NCC1)C
InChIKey: OOBHFESNSZDWIU-UHFFFAOYSA-N
Synonyms: phenmetrazine, 3-Methyl-2-phenylmorpholine, Oxazimedrine, Phenmetrazin, 2-Phenyl-3-methylmorpholine, Psychamine A 66, Probese-P, 134-49-6, Fenmetrazin, Fenmetrazina, Defenmetrazin, Phenmetrazinum, Morpholine, 3-methyl-2-phenyl-, 3-Methyl-2-phenyltetrahydro-2H-1,4-oxazine, dl-2-Phenyl-3-methyltetrahydro-1,4-oxazine, CHEBI:8067, DTXSID5023455, Phenmetraline, RefChem:860606, DTXCID603455, 205-143-4, XA501VL3VR, Dexphenmetrazine, Fenmetrazina [INN-Spanish], Phenmetrazinum [INN-Latin], DEA No. 1631, Phenmetrazine [INN:BAN], 2-Fenyl-3-methylmorfolin, 2-Fenyl-3-methylmorfolin [Czech], HSDB 3156, NCGC00164535-01, NCGC00164535-02, EINECS 205-143-4, BRN 0140490, S-trans-Phenmetrazine, SCHEMBL33984, SCHEMBL7963497, CHEMBL1201208, HCA91912, SBB072145, AKOS003662804, AB07481, DB00830, 57919-12-7, AC-16023, ST081100, NS00002554, C07432, Q3329406
Theoretical properties:
molecular_formula: C11H15NO
molecular_weight: 177.24 g/mol
exact_mass: 177.115364102 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 13
topological_polar_surface_area: 21.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Liquid
color: Liquid
boiling_point: 138-140 °C @ 12 mm Hg
solubility: >5 mg/L
Descriptions:
pubchem: Phenmetrazine is a member of the class of morpholines that is morpholine substituted with a phenyl group at position 2 and a methyl group at position 3. It has a role as a metabolite and a sympathomimetic agent. It is functionally related to a morpholine.
chebi: A member of the class of morpholines that is morpholine substituted with a phenyl group at position 2 and a methyl group at position 3.
chembl: PHENMETRAZINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Phenmetrazine, sold under the brand name Preludin among others, is a stimulant drug first synthesized in 1952 and originally used as an appetite suppressant, but withdrawn from the market in the 1980s due to widespread misuse. It was initially replaced by its analogue phendimetrazine (under the brand name Prelu-2) which functions as a prodrug to phenmetrazine, but now it is rarely prescribed, due to concerns of misuse and addiction. Chemically, phenmetrazine is a substituted amphetamine containing a morpholine ring or a substituted phenylmorpholine.
Compound: VALNOCTAMIDE
SMILES: O=C(N)C(C(CC)C)CC
InChIKey: QRCJOCOSPZMDJY-UHFFFAOYSA-N
Synonyms: VALNOCTAMIDE, 4171-13-5, Valmethamide, Axiquel, McN-X-181, Valnoctamida, NSC-32363, Valnoctamidum, 3O25NRX9YG, NSC-34092, 2-ethyl-3-methylpentamide, RefChem:901603, N05CM13, 224-033-7, 2-Ethyl-3-methylpentanamide, Nirvanil, 2-Ethyl-3-methylvaleramide, Valoctamidum, Valmetamide, Ethylmethyl valeramide, 2-ethyl-3-methyl-pentanamide, Valeramide, 2-ethyl-3-methyl-, Pentanamide, 2-ethyl-3-methyl-, MI 181, NSC32363, WLN: ZVY2&Y2&1, Valnoctamide [USAN:INN], Valnoctamidum [INN-Latin], Valnoctamida [INN-Spanish], alpha-Ethyl-beta-methyl-valeramide, EINECS 224-033-7, NSC 32363, NSC 34092, UNII-3O25NRX9YG, BRN 1749434, Val.meta.mide, DTXSID40863333, Amid kyseliny 2-ethyl-3-methylvalerove [Czech], Axiquel (TN), MFCD00868184, Amid kyseliny 2-ethyl-3-methylvalerove, VALNOCTAMIDE [MI], 2-Ethyl-3-methylpentamid, Valnoctamide (USAN/INN), VALNOCTAMIDE [INN], VALNOCTAMIDE [USAN], VALNOCTAMIDE [MART.], 3-02-00-00812 (Beilstein Handbook Reference), SCHEMBL387435, VALNOCTAMIDE [WHO-DD], orb1706488, SCHEMBL8314806, CHEMBL1075733, Valnoctamide, >=98% (NMR), CHEBI:134767, NSC34092, EBC-07957, AKOS006240025, DB13099, DA-58950, MS-22822, HY-121877, CS-0083592, NS00049181, D02717, EN300-178382, G12769, Q410468, SR-01000945257, SR-01000945257-1, BRD-A96644976-001-01-5, Z1198155509
Theoretical properties:
molecular_formula: C8H17NO
molecular_weight: 143.23 g/mol
exact_mass: 143.131014166 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 4
heavy_atom_count: 10
topological_polar_surface_area: 43.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Valnoctamide is a fatty amide.
chembl: VALNOCTAMIDE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
wikipedia: Valnoctamide (INN, USAN) has been used in France as a sedative-hypnotic since 1964. It is a structural isomer of valpromide, a valproic acid prodrug; unlike valpromide, however, valnoctamide is not transformed into its homologous acid, valnoctic acid, in vivo.
Compound: guanidine
SMILES: N=C(N)N
InChIKey: ZRALSGWEFCBTJO-UHFFFAOYSA-N
Synonyms: guanidine, 113-00-8, Iminourea, Carbamidine, Aminomethanamidine, Carbamamidine, Imidourea, Aminoformamidine, Guanidin, JU58VJ6Y3B, CHEBI:42820, H2N-C(=NH)-NH2, DTXSID0023117, Phosphate, Guanidine, Monohydrate, Guanidine, RefChem:782773, Monohydroiodine, Guanidine, DTXCID603117, 204-021-8, Guanidine, free base, CH5N3, Guanidine, Hydrochloride, GAI, Gu, EINECS 204-021-8, UNII-JU58VJ6Y3B, BRN 0506044, HSDB 7603, GZ6, Ribavirin Impurity T, GUANIDINE [MI], GUANIDINE [HSDB], GUANIDINE [VANDF], CHEMBL821, Epitope ID:140101, GUANIDINE [WHO-DD], SCHEMBL2002, SCHEMBL2003, NCIOpen2_007946, SCHEMBL67960, 4-03-00-00148 (Beilstein Handbook Reference), SCHEMBL159584, (NH2)2C=NH, GTPL4783, orb2646003, SCHEMBL6101225, BDBM50420178, STL223269, AKOS009031425, DB00536, FG152479, SBI-0207070.P001, CS-0440981, NS00013722, C17349, AB00053583_04, F062221, Q183309, BRD-K76037122-001-01-7, BRD-K76037122-001-02-5, A9B89FF5-2922-47CC-82CE-AC4157B624AE
Theoretical properties:
molecular_formula: CH5N3
molecular_weight: 59.07 g/mol
exact_mass: 59.048347172 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 4
topological_polar_surface_area: 75.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Deliquescent crystalline mass
color: Deliquescent crystalline mass
vapor_pressure: 4.1 [mmHg]
Descriptions:
pubchem: Guanidine is an aminocarboxamidine, the parent compound of the guanidines. It is a member of guanidines, a carboxamidine and a one-carbon compound. It is a conjugate base of a guanidinium.
chebi: An aminocarboxamidine, the parent compound of the guanidines.
chembl: GUANIDINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Guanidine is the compound with the formula HNC(NH2)2. It is a colourless solid that dissolves in polar solvents. It is a strong base that is used in the production of plastics and explosives. It is found in urine predominantly in patients experiencing renal failure. A guanidine moiety also appears in larger organic molecules, including on the side chain of arginine.
Compound: orthocarbonic acid
SMILES: OC(O)(O)O
InChIKey: RXCVUXLCNLVYIA-UHFFFAOYSA-N
Synonyms: orthocarbonic acid, 463-84-3, RefChem:1093911, Methanetetrol, carbon hydroxide, SCHEMBL299348, SCHEMBL27463254, DTXSID40429519, Q2491625
Theoretical properties:
molecular_formula: CH4O4
molecular_weight: 80.04 g/mol
exact_mass: 80.01095860 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 0
heavy_atom_count: 5
topological_polar_surface_area: 80.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Orthocarbonic acid (also known as methanetetrol) is a chemical compound with the chemical formula H4CO4 or C(OH)4. Its molecular structure consists of a single carbon atom bonded to four hydroxyl groups. It would be therefore a fourfold alcohol. In theory, it could lose four protons to give the hypothetical oxocarbon anion orthocarbonate CO4−4, and is therefore considered an oxoacid of carbon. 
Orthocarbonic acid is highly unstable and long held to be a hypothetical chemical compound. Calculations show that it decomposes into carbonic acid and water:

H4CO4 → H2CO3 + H2O
However, orthocarbonic acid was first synthesized in 2025 from the electron-irradiation of a frozen mixture of water and carbon dioxide and identified by mass spectrometry. 
Researchers predict that orthocarbonic acid is stable at high pressure; thus, it may form in the interior of the ice giant planets Uranus and Neptune, where water and methane are common.