chempirical

2,3-Diaminobenzoic acid

C7H8N2O2CAS 603-81-6152.15 g/mol

Open in Covalent MOL file
H2NOOHH2N
Carboxylic acidPrimary amine

Properties

Molecular formula
C7H8N2O2
Molar mass
152.15 g/mol
Exact mass
152.0586 Da
Melting point
189–190 °C
logP
0.55Crippen estimate
Polar surface area
89.3 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Identifiers

CAS number
603-81-6
SMILES
Nc1cccc(C(=O)O)c1N
InChIKey
KKTUQAYCCLMNOA-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,8-9H2,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Benzoic acid, 2,3-diamino-
  • 3-Carboxy-1,2-diaminobenzene
  • 3-Carboxy-o-phenylenediamine

Work with 2,3-Diaminobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Aminosalicylic acid570-23-071 % similar Anthranilic acid118-92-369 % similar 3-Aminophthalic acid5434-20-868 % similar 2-Amino-3-bromobenzoic acid20776-51-666 % similar 3-Amino-2-methylbenzoic acid52130-17-366 % similar 3-Hydroxyanthranilic acid548-93-666 % similar 2-Amino-3-chlorobenzoic acid6388-47-266 % similar 2-Amino-3-iodobenzoic acid20776-55-064 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Methyl-4-nitroaniline100-15-2 4-Methyl-3-nitroaniline119-32-4 2,6-Dimethyl-3-nitropyridine15513-52-7 4,6-Dimethyl-5-pyrimidinecarboxylic acid157335-93-8 6-Amino-4-methyl-3-pyridinecarboxylic acid179555-11-4 N-(Hydroxymethyl)nicotinamide3569-99-1 Methyl 3-amino-2-pyridinecarboxylate36052-27-4 3-Hydrazinobenzoic acid38235-71-1

Elsewhere

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