Compound: 3-aminopropionitrile
SMILES: N#CCCN
InChIKey: AGSPXMVUFBBBMO-UHFFFAOYSA-N
Synonyms: 3-aminopropionitrile, 3-Aminopropanenitrile, 151-18-8, 2-Cyanoethylamine, Aminopropionitrile, BETA-AMINOPROPIONITRILE, BAPN, Propanenitrile, 3-amino-, 3-Aminopropiononitrile, beta-Cyanoethylamine, beta-Alaninenitrile, Propionitrile, 3-amino-, beta-Alaminenitrile, beta-Aminoethyl cyanide, 38D5LJ4KH2, DTXSID6048418, CHEBI:27413, NSC-40641, beta Aminopropionitrile, RefChem:567258, DTXCID8028391, CHEBI:22525, 205-786-0, MFCD00014820, .beta.-Aminopropionitrile, NSC 40641, 3-amino-propionitrile, .beta.-Alaninenitrile, .beta.-Cyanoethylamine, H2NCH2CH2CN, C3H6N2, 3-aminopropionitrile (stabilized with k2co3), CHEMBL1618272, ethane, 1-amino-2-cyano-, 3-Aminopropionitrile; Aminopropionitrile; BAPN; N-(2-Cyanoethyl)amine; NSC 40641, b-Aminopropionitrile, HSDB 2897, EINECS 205-786-0, BRN 1698848, cyanoethylamine, UNII-38D5LJ4KH2, aminoethylcyanide, b-Alaminenitrile, b-Alaninenitrile, CCRIS 8134, b-Cyanoethylamine, b-Aminoethyl cyanide, 3-aminopropanonitrile, beta-aminoproprionitrile, n-(2-cyanoethyl)amine, beta-amino propionitrile, beta-amino-propionitrile, Z2CN, Lopac-A-3134, .beta.-Aminoethyl cyanide, SCHEMBL339, Aminopropionitrile (BAPN), WLN: Z2CN, Lopac0_000055, beta-Aminopropionitrile Liquid, orb1308897, SCHEMBL1682950, SCHEMBL2027264, SCHEMBL4185682, AGSPXMVUFBBBMO-UHFFFAOYSA-, AMINOPROPIONITRILE [HSDB], 3-AMINOPROPIONITRILE [MI], 3-amino-propionitrile, AldrichCPR, HMS6018D07, CS-D1507, HY-Y1750, NSC40641, STR02529, BBL101609, BDBM50232678, EX-A10375, STL555405, AKOS000121388, BETA-AMINOPROPIONITRILE [MART.], EBC-610997, FA76078, SB75359, NCGC00015048-01, NCGC00015048-02, NCGC00015048-03, NCGC00015048-05, NCGC00162054-01, 60585-38-8, DA-79058, 3-Aminopropionitrile stabilized with K2CO3, BETA-AMINOPROPIONITRILE [GREEN BOOK], DB-294222, A0408, NS00024934, 3-Aminopropionitrile (stabilised with K2CO3), EN300-21136, C05670, D77355, F105100, Q3614347, InChI=1/C3H6N2/c4-2-1-3-5/h1-2,4H2, 3-Aminopropionitrile (stab. with 0.1% potassium carbonate)
Theoretical properties:
molecular_formula: C3H6N2
molecular_weight: 70.09 g/mol
exact_mass: 70.053098200 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 5
topological_polar_surface_area: 49.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Liquid
color: Liquid
odor: Amine odor
boiling_point: 185 °C @ 760 mm Hg
melting_point: < 25 °C
density: 0.9584 @ 20 °C
vapor_pressure: 2 mm Hg @ 38-40 °C
Descriptions:
pubchem: Beta-aminopropionitrile is an aminopropionitrile carrying an amino group at the beta-position. It has a role as an antineoplastic agent, an antirheumatic drug, a plant metabolite and a collagen cross-linking inhibitor. It is a conjugate base of a beta-ammoniopropionitrile.
chebi: An aminopropionitrile carrying an amino group at the β-position.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Aminopropionitrile, also known as β-aminopropionitrile (BAPN), is an organic compound with both amine and nitrile functional groups. It is a colourless liquid. The compound occurs naturally and is of interest in the biomedical community.