2-Aminomethylphenylacetic acid

C₉H₁₁NO₂CAS 40851-65-8165.19 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₁₁NO₂
Molar mass: 165.19 g/mol
Exact mass: 165.0790 Da
Melting point: 202 °C (decomposes)
logP: 0.77Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Identifiers

CAS number

40851-65-8

SMILES

NCc1ccccc1CC(=O)O

InChIKey

VLOIVYPDUSVCLZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)

Weigh it out

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

Names and synonyms

5 names

Benzeneacetic acid, 2-(aminomethyl)-
Acetic acid, (α-amino-o-tolyl)-
2-(Aminomethyl)benzeneacetic acid
o-(Aminomethyl)phenylacetic acid
2-[2-(Aminomethyl)phenyl]acetic acid

Work with 2-Aminomethylphenylacetic 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

1,2-Benzenediacetic acid7500-53-077 % similar 2-Aminophenylacetic acid3342-78-763 % similar 2-Bromophenylacetic acid18698-97-059 % similar (2-Hydroxyphenyl)acetic acid614-75-559 % similar (2-Chlorophenyl)acetic acid2444-36-258 % similar (2-Fluorophenyl)acetic acid451-82-158 % similar (2-Methylphenyl)acetic acid644-36-058 % similar 1-Naphthaleneacetic acid86-87-356 % 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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