3-Amino-2-methylbenzoic acid

C₈H₉NO₂CAS 52130-17-3151.16 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₈H₉NO₂
Molar mass: 151.16 g/mol
Exact mass: 151.0633 Da
Melting point: 128 °C
logP: 1.28Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

52130-17-3

SMILES

Cc1c(N)cccc1C(=O)O

InChIKey

BYHMLZGICSEKIY-UHFFFAOYSA-N

InChI

InChI=1S/C8H9NO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,9H2,1H3,(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-amino-2-methyl-
o-Toluic acid, 3-amino-
2-Methyl-3-aminobenzoic acid
3-Amino-o-toluic acid

Work with 3-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

Anthranilic acid118-92-367 % similar 3-Aminophthalic acid5434-20-866 % similar 2,3-Dimethylbenzoic acid603-79-266 % similar 2,3-Diaminobenzoic acid603-81-666 % similar 3-Aminosalicylic acid570-23-064 % similar 3-Chloro-2-methylbenzoic acid7499-08-364 % similar 3-Fluoro-2-methylbenzoic acid699-90-162 % similar 3-Aminophthalic acid hydrochloride6946-22-160 % 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

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