Compound: anthranilic acid
SMILES: O=C(O)c1c(N)cccc1
InChIKey: RWZYAGGXGHYGMB-UHFFFAOYSA-N
Synonyms: anthranilic acid, 2-aminobenzoic acid, 118-92-3, o-aminobenzoic acid, vitamin L1, o-Carboxyaniline, 2-Carboxyaniline, o-Anthranilic acid, Benzoic acid, 2-amino-, 1-Amino-2-carboxybenzene, ortho-Aminobenzoic acid, Benzoic acid, o-amino-, 2-azaniumylbenzoate, Carboxyaniline, Kyselina anthranilova, NCI-C01730, Vitamin L, Kyselina o-aminobenzoova, 2-amino-Benzoic acid, 0YS975XI6W, DTXSID8020094, CHEBI:30754, Ortho-amidobenzoic acid, NSC-144, NSC-40929, DTXCID7094, RefChem:5556, 204-287-5, Benzoic acid, amino-, Caswell No. 033G, Kyselina anthranilova [Czech], Kyselina o-aminobenzoova [Czech], NSC 144, BRN 0471803, AI3-02408, Anthranilic Acid-13C6, Cupric anthranilate, MFCD00007712, Bis(anthranilato)copper, 2-AA, NSC 3937, Bis(o-aminobenzoato)copper, Copper, bis(anthranilato)-, Anthranic acid, Copper, bis(2-aminobenzoato)-, NCGC00091175-01, Copper, bis(2-aminobenzoato-N,O)-, 1321-11-5, BE2, CCRIS 49, NSC3937, CAS-118-92-3, 2-amino benzoic acid, HSDB 1321, 15442-49-6, EINECS 204-287-5, UNII-0YS975XI6W, Anthranate, anthanilic acid, o-Anthranilate, Antranilic Acid, o-amino-Benzoate, 4owv, 2-amino-Benzoate, o-Aminobenzoesaeure, Ortho-amidobenzoate, Ortho-aminobenzoate, 2-aminobezoic acid, anthranilic acid gr, 2-Aminobenzoesaeure, EINECS 215-310-3, 2-Aminophenylacetate, 2-Carboxyphenylamine, o-amino-Benzoic acid, NSC 173996, alpha-Aminobenzoic acid, 2-anilinecarboxylic acid, Anthranilic acid, 98%, H-2-Abz-OH, SCHEMBL675, bmse000067, bmse000917, Epitope ID:613413, EC 204-287-5, NCIOpen2_001191, Oprea1_390012, 80206-34-4, 98072-80-1, CHEMBL14173, SCHEMBL343217, NSC144, SCHEMBL1196449, SCHEMBL3727873, SCHEMBL3727876, SCHEMBL3806095, SCHEMBL6197923, ANTHRANILIC ACID [HSDB], ANTHRANILIC ACID [IARC], SCHEMBL29365173, 1-aminobenzene-2-carboxylic acid, O-AMINOBENZOIC ACID [MI], ANTHRANILIC ACID [WHO-DD], NSC40929, Tox21_111095, Tox21_200703, BBL025605, BDBM50376751, SBB007560, STK298716, AKOS002667021, Tox21_111095_1, DB04166, FA01369, NCGC00091175-02, NCGC00091175-03, NCGC00258257-01, 50816-84-7, AC-11503, Anthranilic acid, reagent grade, >=98%, BP-30147, DB-292931, DS-009700, A0497, NS00009891, ST45061374, C00108, BENZOIC ACID,2-AMINO   ANTHRANILIC ACID, Benzoic acid,2-amino-,labeled with tritium(9ci), Anthranilic acid, puriss. p.a., >=99.5% (T), Q385140, 3B851741-2A4D-440D-BB22-1A455121BA21, InChI=1/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10, Benzoic acid,2-amino-,diazotized,coupled with 4-amino-5-hydroxy-2,7-naphthalenedisulfonic acid,diazotized 3,3'-dimethyl[1,1'-biphenyl]-4,4'-diamine and 5,5'-[oxybis[(5-hydroxy-3,1-phenylene)oxy]]b
Theoretical properties:
molecular_formula: C7H7NO2
molecular_weight: 137.14 g/mol
exact_mass: 137.047678466 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 10
topological_polar_surface_area: 63.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White to pale yellow, crystalline powder
color: White to pale yellow, crystalline powder
boiling_point: Sublimes (NTP, 1992)
melting_point: 291 to 295 °F (NTP, 1992)
density: 1.412 (NTP, 1992) - Denser than water; will sink
solubility: less than 0.1 mg/mL at 68 °F (NTP, 1992)
flash_point: 340 °F (NTP, 1992)
vapor_pressure: Negligible (NTP, 1992)
Descriptions:
pubchem: Anthranilic acid is an aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central nervous system. It has a role as a mouse metabolite and a human metabolite. It is a conjugate acid of an anthranilate.
chebi: An aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in <small>L</small>-tryptophan-kynurenine pathway in the central nervous system.
chembl: ANTHRANILIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Anthranilic acid is an aromatic acid with the formula C6H4(NH2)(CO2H) and has a sweetish taste. The molecule consists of a benzene ring, ortho-substituted with a carboxylic acid and an amine. As a result of containing both acidic and basic functional groups, the compound is amphoteric. Anthranilic acid is a white solid when pure, although commercial samples may appear yellow. The anion [C6H4(NH2)(CO2)]−, obtained by the deprotonation of anthranilic acid, is called anthranilate. Anthranilic acid was once thought to be a vitamin and was referred to as vitamin L1 in that context, but it is now known to be non-essential in human nutrition.