Phenibut

C10H13NO2CAS 1078-21-3179.22 g/mol

Open in Covalent MOL file
H2NOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C10H13NO2
Molar mass
179.22 g/mol
Exact mass
179.0946 Da
Melting point
253 °C (decomposes)
logP
1.20Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
1078-21-3
SMILES
NCC(CC(=O)O)c1ccccc1
InChIKey
DAFOCGYVTAOKAJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)

Weigh it out

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

Names and synonyms

22 names · show all
  • Benzenepropanoic acid, β-(aminomethyl)-
  • Hydrocinnamic acid, β-(aminomethyl)-
  • β-(Aminomethyl)benzenepropanoic acid
  • Phenigam
  • Phenygam
  • β-Phenyl-γ-aminobutyric acid
  • 4-Amino-3-phenylbutyric acid
  • γ-Amino-β-phenylbutyric acid
  • Fenibut
  • Phenybut
  • β-Phenyl-GABA
  • Fenigam
  • Fenigama
  • PhGABA
  • P-GABA
  • DL-β-Phenyl-γ-aminobutyric acid
  • DL-4-Amino-3-phenylbutanoic acid
  • (±)-β-Phenyl-GABA
  • (±)-Fenibut
  • 3-Phenyl-4-aminobutanoic acid
  • Anvifen
  • 4-Amino-3-phenylbutanoic acid

Work with Phenibut

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.

(S)-4-Amino-3-phenylbutanoic acid62596-63-8Defined stereoisomer (R)-4-Amino-3-phenylbutanoic acid35568-36-6Defined stereoisomer 4-Amino-3-phenylbutyric acid hydrochloride3060-41-1Salt

Similar compounds

3-Phenylglutaric acid4165-96-277 % similar Baclofen1134-47-069 % similar (S)-Baclofen66514-99-669 % similar (R)-4-Amino-3-P-tolylbutanoic acid67112-56-569 % similar (S)-4-Amino-3-P-tolylbutanoic acid67112-57-669 % similar (-)-Baclofen69308-37-869 % similar (R)-4-Amino-3-(4-fluorophenyl)butanoic acid741217-33-469 % similar (S)-4-Amino-3-(4-fluorophenyl)butanoic acid747371-90-069 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl N,N-dimethylanthranilate10072-05-6 Dl-homophenylalanine1012-05-1 DL-α-Methylphenylalanine1132-26-9 3-Methylphenylalanine114926-37-3 3-Methyl-D-phenylalanine114926-39-5 4-[(2-Hydroxyethyl)(methyl)amino]benzaldehyde1201-91-8 Propham122-42-9 β-Aminobenzenebutanoic acid15099-85-1

Elsewhere

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