chempirical

Methyl 3-amino-4-methylbenzoate

C9H11NO2CAS 18595-18-1165.19 g/mol

Open in Covalent MOL file
OONH2
EsterPrimary amine

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
Melting point
114.5–115.2 °C
logP
1.36Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
18595-18-1
SMILES
COC(=O)c1ccc(C)c(N)c1
InChIKey
YEPWCJHMSVABPQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-6-3-4-7(5-8(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, 3-amino-4-methyl-, methyl ester
  • p-Toluic acid, 3-amino-, methyl ester
  • 3-Amino-4-methylbenzoic acid methyl ester
  • NSC 356832
  • 2-Methyl-5-methoxycarbonylaniline
  • Methyl 3-amino-4-methylbenzoic acid

Work with Methyl 3-amino-4-methylbenzoate

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 4-amino-3-methylbenzoate18595-14-776 % similar Dimethyl 3-aminoterephthalate5372-81-671 % similar Methyl 3,4-dimethylbenzoate38404-42-170 % similar Methyl 3-amino-4-methoxybenzoate24812-90-667 % similar Methyl 3-methoxy-4-methylbenzoate3556-83-067 % similar 1-Methylethyl 3-amino-4-methylbenzoate21447-47-266 % similar 3-Amino-4-fluorobenzoic acid methyl ester369-26-665 % similar Orthocaine536-25-465 % 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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