3,5-Diaminobenzoic acid

C7H8N2O2CAS 535-87-5152.15 g/mol

Open in Covalent MOL file
NH2NH2OOH
Carboxylic acidPrimary 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 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3,5-Diaminobenzoic acid dihydrochloride618-56-4Salt

Similar compounds

3,5-Dicarboxyaniline99-31-091 % similar 3-Amino-5-hydroxybenzoic acid76045-71-174 % similar 3-Amino-5-chlorobenzoic acid21961-30-871 % similar 3-Amino-5-fluorobenzoic acid786616-54-471 % 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-Dimethylpyrimidine-5-carboxylic acid157335-93-8 Methyl 4-aminopyridine-3-carboxylate16135-36-7 6-Amino-4-methyl-3-pyridinecarboxylic acid179555-11-4 1-Methyl-2-(2-nitroethenyl)-pyrrole3156-50-1

Elsewhere

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