chempirical

2-Carbomethoxy-6-methylaniline

C9H11NO2CAS 22223-49-0165.19 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
Boiling point
83 °C (at 0.05 Torr)
logP
1.36Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
22223-49-0
SMILES
COC(=O)c1cccc(C)c1N
InChIKey
VSFYTPXXMLJNAU-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-6-4-3-5-7(8(6)10)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

6 names
  • Benzoic acid, 2-amino-3-methyl-, methyl ester
  • m-Toluic acid, 2-amino-, methyl ester
  • 3-Methylanthranilic acid methyl ester
  • Methyl 3-methylanthranilate
  • Methyl 2-amino-3-methylbenzoate
  • 2-Amino-3-methyl-benzoic acid methyl ester

Work with 2-Carbomethoxy-6-methylaniline

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 2-methylbenzoate89-71-469 % similar 2,3-Diaminobenzoic acid methyl ester107582-20-768 % similar Methyl 2-amino-3-chlorobenzoate77820-58-766 % similar Methyl 2-bromo-3-methylbenzoate131001-86-064 % similar Methyl o-cresotinate23287-26-564 % similar 2-Amino-3-methylbenzoic acid4389-45-158 % similar Dimethyl phthalate131-11-358 % similar Methyl anthranilate134-20-357 % 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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