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C10H13NO2CAS 1078-21-3179.22 g/mol

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

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)

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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

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

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