3,5-Diaminobenzoic acid

C₇H₈N₂O₂CAS 535-87-5152.15 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₈N₂O₂
Molar mass: 152.15 g/mol
Exact mass: 152.0586 Da
Melting point: 228 °C
logP: 0.55Crippen estimate
Polar surface area: 89.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Identifiers

CAS number

535-87-5

SMILES

Nc1cc(N)cc(C(=O)O)c1

InChIKey

UENRXLSRMCSUSN-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,8-9H2,(H,10,11)

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 3,5-diamino-
DABA
D 0294
5-Carboxy-1,3-phenylenediamine

Work with 3,5-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

3,5-Dicarboxyaniline99-31-091 % similar 3,5-Diaminobenzoic acid dihydrochloride618-56-488 % similar 3-Amino-5-hydroxybenzoic acid76045-71-174 % similar 3-Amino-5-chlorobenzoic acid21961-30-871 % similar 3-Amino-5-carboxylphenylboronic acid116378-40-667 % similar 3-Amino-5-(trifluoromethyl)benzoic acid328-68-765 % similar 3-Aminobenzoic acid99-05-864 % similar Trimesic acid554-95-064 % 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 Methyl 2-aminopyridine-3-carboxylate14667-47-1 2,6-Dimethyl-3-nitropyridine15513-52-7 4,6-Dimethyl-5-pyrimidinecarboxylic acid157335-93-8 Methyl 4-aminopyridine-3-carboxylate16135-36-7 6-Amino-4-methyl-3-pyridinecarboxylic acid179555-11-4 N-(Hydroxymethyl)nicotinamide3569-99-1

Elsewhere

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