2-Amino-4-methylbenzoic acid

C₈H₉NO₂CAS 2305-36-4151.16 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: 178–180 °C
logP: 1.28Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 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

2305-36-4

SMILES

Cc1ccc(C(=O)O)c(N)c1

InChIKey

RPGKFFKUTVJVPY-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Benzoic acid, 2-amino-4-methyl-
p-Toluic acid, 2-amino-
4-Methylanthranilic acid
2-Amino-p-toluic acid
NSC 39155

Work with 2-Amino-4-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-5-methylbenzoic acid2941-78-877 % similar 4-Methylphthalic acid4316-23-870 % similar 2,4-Dimethylbenzoic acid611-01-866 % similar 3,3'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic acid1799740-97-865 % similar 4-Methylsalicylic acid50-85-164 % similar 2-Methoxy-4-methylbenzoic acid704-45-063 % similar 2-Aminoterephthalic acid10312-55-763 % similar 2-Iodo-5-methylbenzoic acid52548-14-862 % 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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