5-Amino-2-methylbenzoic acid

C₈H₉NO₂CAS 2840-04-2151.17 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₈H₉NO₂
Molar mass: 151.17 g/mol
Exact mass: 151.0633 Da
Melting point: 196 °C
logP: 1.28Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

2840-04-2

SMILES

Cc1ccc(N)cc1C(=O)O

InChIKey

FSXVZWAWYKMFMX-UHFFFAOYSA-N

InChI

InChI=1S/C8H9NO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,9H2,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

3 names

Benzoic acid, 5-amino-2-methyl-
o-Toluic acid, 5-amino-
3-Amino-6-methylbenzoic acid

Work with 5-Amino-2-methylbenzoic 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

4-Amino-2-methylbenzoic acid2486-75-175 % similar 4-Aminophthalic acid5434-21-968 % similar 2,5-Dimethylbenzoic acid610-72-064 % similar 5-Iodo-2-methylbenzoic acid54811-38-062 % similar 5-Aminosalicylic acid89-57-662 % similar 5-Fluoro-2-methylbenzoic acid33184-16-660 % similar 5-Chloro-2-methylbenzoic acid7499-06-160 % similar 5-Amino-2-chlorobenzoic acid89-54-360 % similar

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

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook