Compound: 3-aminobenzamide
SMILES: O=C(N)c1cc(N)ccc1
InChIKey: GSCPDZHWVNUUFI-UHFFFAOYSA-N
Synonyms: 3-aminobenzamide, 3544-24-9, m-Aminobenzamide, Benzamide, 3-amino-, Benzamide, m-amino-, meta-aminobenzamide, 8J365YF1YH, NSC-36962, CHEBI:64042, DTXSID90188922, RefChem:92958, DTXCID50111413, 222-586-9, 3-Amino-benzamide, 3-ABA, MFCD00007989, 3-AB, aniline-3-carboxamide, 3-aminobenzoic acid amide, 3-carboxamidoaniline, 3-H2NC6H4CONH2, CHEMBL81977, 3-Aminobenzimide, 3-amino benzamide, CCRIS 3925, SR-01000075657, EINECS 222-586-9, NSC 36962, PARP-IN-1, BRN 2802373, UNII-8J365YF1YH, HSDB 7581, 4pml, ZERENEX E/1009157, 3AB, Spectrum_001492, Tocris-0788, Spectrum2_001577, Spectrum3_000972, Spectrum4_001096, Spectrum5_001459, 3-Aminobenzamide, 97%, Lopac-A-0788, UPCMLD-DP128, 3-aminobenzamide (3-ABA), zerenex e/1009157;, Lopac0_000043, Oprea1_589004, SCHEMBL16070, BSPBio_001432, BSPBio_002603, KBioGR_000152, KBioGR_001512, KBioGR_002355, KBioSS_000152, KBioSS_001972, KBioSS_002358, 4-14-00-01094 (Beilstein Handbook Reference), MLS002153497, 3-NH2-C6H4CONH2, DivK1c_000717, SCHEMBL915894, INO-1001,3-Aminobenzamide, SPBio_001514, orb1300864, SCHEMBL4527734, SCHEMBL5848244, 3-(AMINOCARBONYL)ANILINE, 3-AMINOBENZAMIDE [HSDB], SCHEMBL27679552, SCHEMBL27914228, SCHEMBL27946268, UPCMLD-DP128:001, 3-ABA; 3-AB, BCBcMAP01_000186, BDBM27506, HMS502D19, KBio1_000717, KBio2_000152, KBio2_001972, KBio2_002355, KBio2_002720, KBio2_004540, KBio2_004923, KBio2_005288, KBio2_007108, KBio2_007491, KBio3_000303, KBio3_000304, KBio3_001823, KBio3_002834, INO-1001 (3-Aminobenzamide), 3-(Aminocarbonyl) Aniline;3-AB, cMAP_000029, NINDS_000717, Bio1_000466, Bio1_000955, Bio1_001444, Bio2_000152, Bio2_000632, HMS1361H14, HMS1791H14, HMS1989H14, HMS3260I07, HMS3266F08, HMS3402H14, HMS3411L09, HMS3654C08, HMS3656P18, HMS3675L09, NSC36962, 3-Aminobenzamide, >=99% (TLC), Tox21_500043, BBL027669, CCG-39623, EBC-00532, HSCI1_000265, s1132, SBB028153, STK730785, AKOS000118163, (3-(AMINOCARBONYL)PHENYL)AMINE, CS-0157, FA71335, LP00043, SDCCGSBI-0050032.P003, IDI1_000717, IDI1_033902, SMP2_000089, Biochem Biophys Res Commun 225: 826, NCGC00015034-01, NCGC00015034-02, NCGC00015034-03, NCGC00015034-04, NCGC00015034-05, NCGC00015034-06, NCGC00015034-07, NCGC00015034-08, NCGC00015034-21, NCGC00024792-01, NCGC00024792-02, NCGC00024792-03, NCGC00024792-04, NCGC00024792-05, NCGC00024792-06, NCGC00260728-01, AC-10266, AS-17352, HY-12022, SMR000375902, SY012693, DB-022254, A0630, EU-0100043, NS00018655, ST45051718, SW219192-1, SW219192-2, EN300-21784, A 0788, PARP-IN-1 (3-aminobenzamide; 3-ABA; 3-AB), F018167, Q4634111, SR-01000075657-1, SR-01000075657-3, Aminobenzamide (3-ABA) [3-aminobenzamide (3-ABA)], BRD-K08703257-001-01-4, BRD-K08703257-001-12-1, BRD-K08703257-001-13-9, F3377-1722, Z118530082, InChI=1/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10
Theoretical properties:
molecular_formula: C7H8N2O
molecular_weight: 136.15 g/mol
exact_mass: 136.063662883 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 10
topological_polar_surface_area: 69.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 115-116 °C
Descriptions:
pubchem: 3-aminobenzamide is a substituted aniline that is benzamide in which one of the meta- hydrogens is replaced by an amino group. It has a role as an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor. It is a member of benzamides and a substituted aniline.
chebi: A substituted aniline that is benzamide in which one of the <em>meta</em>- hydrogens is replaced by an amino group.
chembl: 3-AMINOBENZAMIDE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 3-Aminobenzamide is a benzamide. It is an off-white powder and has the chemical formula C7H8N2O.