Methyl 4-methylaminobenzoate

C₉H₁₁NO₂CAS 18358-63-9165.19 g/mol

Open in Covalent MOL file

Ester Secondary amine

Properties

Molecular formula: C₉H₁₁NO₂
Molar mass: 165.19 g/mol
Exact mass: 165.0790 Da
logP: 1.51Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

18358-63-9

SMILES

CNC1=CC=C(C=C1)C(=O)OC

InChIKey

LLAMGYUWYUMHCH-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO2/c1-10-8-5-3-7(4-6-8)9(11)12-2/h3-6,10H,1-2H3

Weigh it out

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

Work with Methyl 4-methylaminobenzoate

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

Dimethyl terephthalate120-61-669 % similar 4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-562 % similar Methyl p-toluate99-75-258 % similar Methyl benzoate93-58-357 % similar Methyl 4-chlorobenzoate1126-46-156 % similar Methyl anisate121-98-256 % similar Methyl 4-acetylbenzoate3609-53-856 % similar Methyl 4-fluorobenzoate403-33-856 % 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 4-Acetaminobenzyl alcohol16375-88-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook