N-(Phenylmethyl)glycine

C9H11NO2CAS 17136-36-6165.19 g/mol

Open in Covalent MOL file
OHONH
Carboxylic acidSecondary amine

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
Melting point
198–200 °C
logP
0.86Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
17136-36-6
SMILES
O=C(O)CNCc1ccccc1
InChIKey
KGSVNOLLROCJQM-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c11-9(12)7-10-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)

Weigh it out

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

Names and synonyms

7 names
  • Glycine, N-(phenylmethyl)-
  • Glycine, N-benzyl-
  • N-Benzylglycine
  • (N-Benzylamino)acetic acid
  • NSC 166840
  • (Benzylamino)acetic acid
  • 2-(Benzylamino)acetic acid

Work with N-(Phenylmethyl)glycine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-Benzylglycine hydrochloride7689-50-1Salt

Similar compounds

Phenylacetic acid103-82-257 % similar N-Phenylglycine103-01-556 % similar Phenylpropanoic acid501-52-055 % similar 4-Phenylbutyric acid1821-12-153 % similar N,N′-Dibenzylethylenediamine diacetate122-75-853 % similar Dibenzylamine103-49-152 % similar Iminodiacetic acid142-73-452 % similar Benzenepentanoic acid2270-20-452 % 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