3-Aminobenzoic acid

C₇H₇NO₂CAS 99-05-8137.14 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₇NO₂
Molar mass: 137.14 g/mol
Exact mass: 137.0477 Da
Melting point: 173 °C
logP: 0.97Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

99-05-8

SMILES

Nc1cccc(C(=O)O)c1

InChIKey

XFDUHJPVQKIXHO-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)

Weigh it out

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

Names and synonyms

10 names

Benzoic acid, 3-amino-
Benzoic acid, m-amino-
m-Aminobenzoic acid
m-Carboxyaniline
3-Carboxyaniline
Aniline-3-carboxylic acid
m-Carboxyphenylamine
NSC 15012
m-Anthranilic acid
3-Aminobenzenecarboxylic acid

Work with 3-Aminobenzoic 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-Aminobenzoic acid hydrochloride15151-51-689 % similar Isophthalic acid121-91-569 % similar 3,5-Diaminobenzoic acid535-87-564 % similar 3,5-Dicarboxyaniline99-31-064 % similar 6-Amino-2-naphthoic acid116668-47-463 % similar 3,3′-Diaminobenzophenone611-79-062 % similar 3-Fluorobenzoic acid455-38-958 % similar 3-Chlorobenzoic acid535-80-858 % similar

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

Same formula

Anthranilic acid118-92-3 Benzodioxol-5-amine14268-66-7 4-Aminobenzoic acid150-13-0 3-Acetoxypyridine17747-43-2 Methyl picolinate2459-07-6 Methyl isonicotinate2459-09-8 4-Pyridineacetic acid28356-58-3 5-Methylnicotinic acid3222-49-9

Elsewhere

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