3-Amino-4-methylbenzoic acid

C₈H₉NO₂CAS 2458-12-0151.16 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: 162 °C
logP: 1.28Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

2458-12-0

SMILES

Cc1ccc(C(=O)O)cc1N

InChIKey

XKFIFYROMAAUDL-UHFFFAOYSA-N

InChI

InChI=1S/C8H9NO2/c1-5-2-3-6(8(10)11)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

6 names

NSC 597
Benzoic acid, 3-amino-4-methyl-
p-Toluic acid, 3-amino-
2-Toluidine-4-carboxylic acid
4-Methyl-3-aminobenzoic acid
NSC 127033

Work with 3-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

4-Amino-3-methylbenzoic acid2486-70-675 % similar 3,4-Dimethylbenzoic acid619-04-568 % similar 3,4-Diaminobenzoic acid619-05-668 % similar 2-Aminoterephthalic acid10312-55-766 % similar 3-Amino-4-hydroxybenzoic acid1571-72-862 % similar 3-Hydroxy-4-methylbenzoic acid586-30-162 % similar 3-Iodo-4-methylbenzoic acid82998-57-062 % similar 3-Amino-4-methoxybenzoic acid2840-26-861 % 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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