2-Amino-3-methylbenzoic acid

C8H9NO2CAS 4389-45-1151.16 g/mol

Open in Covalent MOL file
OOHH2N
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Melting point
168–169 °C
logP
1.28Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4389-45-1
SMILES
Cc1cccc(C(=O)O)c1N
InChIKey
WNAJXPYVTFYEST-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)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

6 names
  • Benzoic acid, 2-amino-3-methyl-
  • m-Toluic acid, 2-amino-
  • 3-Methylanthranilic acid
  • 3-Methyl-2-aminobenzoic acid
  • 2-Amino-m-toluic acid
  • NSC 16049

Work with 2-Amino-3-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

2-Amino-3-iodobenzoic acid20776-55-065 % similar o-Toluic acid118-90-165 % similar 2,3-Dimethylbenzoic acid603-79-264 % similar 2,3-Diaminobenzoic acid603-81-664 % similar 2-Amino-3,4-dimethylbenzoic acid50419-58-463 % similar 2-Iodo-3-methylbenzoic acid108078-14-462 % similar 2-Chloro-3-methylbenzoic acid15068-35-662 % similar 2-Amino-3-bromobenzoic acid20776-51-662 % 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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