chempirical

2-Amino-3,4-dimethylbenzoic acid

C9H11NO2CAS 50419-58-4165.19 g/mol

Open in Covalent MOL file
OOHNH2
Carboxylic acidPrimary amine

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
Melting point
184–186 °C (decomposes)
logP
1.58Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
50419-58-4
SMILES
Cc1ccc(C(=O)O)c(N)c1C
InChIKey
MUOBMUYSNYMSDM-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-5-3-4-7(9(11)12)8(10)6(5)2/h3-4H,10H2,1-2H3,(H,11,12)

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Names and synonyms

3 names
  • Benzoic acid, 2-amino-3,4-dimethyl-
  • 3,4-Dimethylanthranilic acid
  • NSC 135928

Work with 2-Amino-3,4-dimethylbenzoic 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-methylbenzoic acid4389-45-163 % similar 2,3-Dimethylbenzoic acid603-79-257 % similar 4-Amino-2-methylbenzoic acid2486-75-154 % similar 5-Amino-2-methylbenzoic acid2840-04-254 % similar 3-Amino-2-methylbenzoic acid52130-17-351 % similar 2-Amino-3-iodobenzoic acid20776-55-050 % similar 2-Amino-5-chloro-3-methylbenzoic acid20776-67-450 % similar 2,3-Diaminobenzoic acid603-81-649 % similar

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

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 2-Amino-3,5-dimethylbenzoic acid14438-32-5 1,3-Benzodioxole-5-ethanamine1484-85-1 Dl-phenylalanine150-30-1 3-(3-Aminophenyl)propionic acid1664-54-6

Elsewhere

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