Phenylalaninamide

C9H12N2OCAS 5241-58-7164.21 g/mol

Open in Covalent MOL file
H2NOH2N
Primary amine

Properties

Molecular formula
C9H12N2O
Molar mass
164.21 g/mol
Exact mass
164.0950 Da
Melting point
138–139 °C
logP
1.09Crippen estimate
Polar surface area
70.1 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5241-58-7
SMILES
N=C(O)[C@@H](N)Cc1ccccc1
InChIKey
OBSIQMZKFXFYLV-QMMMGPOBSA-N
InChI
InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • Benzenepropanamide, α-amino-, (αS)-
  • Hydrocinnamamide, α-amino-, L-
  • Benzenepropanamide, α-amino-, (S)-
  • (αS)-α-Aminobenzenepropanamide
  • L-Phenylalaninamide
  • Phenylalanylamide
  • L-Phenylalanine amide
  • (S)-Phenylalaninamide
  • (S)-2-Amino-3-phenylpropionamide
  • (S)-2-Amino-3-phenylpropanamide
  • (2S)-2-Amino-3-phenylpropanamide
  • Phenylalanine amide

Work with Phenylalaninamide

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.

H-D-Phe-nh2 hcl71666-94-9Salt, enantiomer Phenylalanine amide hydrochloride65864-22-4Salt

Similar compounds

DL-Phenylalanine150-30-159 % similar Phenylalanine63-91-259 % similar D-Phenylalanine673-06-359 % similar L-Tryptophanamide hydrochloride5022-65-150 % similar D-Phenylglycine amide6485-67-250 % similar L-4,4'-Biphenylalanine155760-02-449 % similar D-4,4'-Biphenylalanine170080-13-449 % similar L-Phenylalanyl-L-phenylalanine2577-40-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fenuron101-42-8 N-(4-Aminophenyl)-N-methylacetamide119-63-1 N-(3-Aminophenyl)propanamide22987-10-6 2,4-Dimethylphenylurea2990-02-5 4-Amino-N,N-dimethylbenzamide6331-71-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook