chempirical

Methyl 5-methylanthranilate

C9H11NO2CAS 18595-16-9165.19 g/mol

Open in Covalent MOL file
OOH2N
EsterPrimary amine

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
Melting point
69–70 °C
logP
1.36Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
18595-16-9
SMILES
COC(=O)c1cc(C)ccc1N
InChIKey
MDHYFUPTSWXVIA-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5H,10H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Benzoic acid, 2-amino-5-methyl-, methyl ester
  • m-Toluic acid, 6-amino-, methyl ester
  • Methyl 2-amino-5-methylbenzoate
  • 2-Amino-5-methylbenzoic acid methyl ester

Work with Methyl 5-methylanthranilate

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

Methyl 5-hydroxyanthranilate1882-72-065 % similar Methyl 2-amino-5-fluorobenzoate319-24-465 % similar Methyl 2-amino-5-chlorobenzoate5202-89-165 % similar Methyl 2-amino-5-bromobenzoate52727-57-865 % similar Methyl 2-amino-5-iodobenzoate77317-55-665 % similar Methyl anthranilate134-20-365 % similar Methyl 5-methylsalicylate22717-57-362 % similar Methyl 2-bromo-5-methylbenzoate90971-88-362 % 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 1,3-Benzodioxole-5-ethanamine1484-85-1 Dl-phenylalanine150-30-1 3-(3-Aminophenyl)propionic acid1664-54-6 N-(4-Hydroxyphenyl)propanamide1693-37-4

Elsewhere

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