ChemSpider 2D Image | (S)-4-amino-3-phenylbutyric acid | C10H13NO2

(S)-4-amino-3-phenylbutyric acid

  • Molecular FormulaC10H13NO2
  • Average mass179.216 Da
  • Monoisotopic mass179.094635 Da
  • ChemSpider ID23345686
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S)-4-Amino-3-phenylbutanoic acid [ACD/IUPAC Name]
(3S)-4-Amino-3-phenylbutansäure [German] [ACD/IUPAC Name]
(S)-4-AMINO-3-PHENYLBUTANOIC ACID
(S)-4-amino-3-phenylbutyric acid
62596-63-8 [RN]
Acide (3S)-4-amino-3-phénylbutanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-(aminomethyl)-, (βS)- [ACD/Index Name]
(R)-4-AMINO-3-(4-FLUOROPHENYL)BUTANOIC ACID
(R)-4-AMINO-3-PHENYLBUTANOIC ACID
(S)-4-Amino-3-Phenylbutanoic Acid (en)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

89O32FJ0DL [DBID]
UNII:89O32FJ0DL [DBID]
UNII-89O32FJ0DL [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 327.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 60.2±3.0 kJ/mol
Flash Point: 152.1±24.6 °C
Index of Refraction: 1.564
Molar Refractivity: 50.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): -1.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 154.3±3.0 cm3

Click to predict properties on the Chemicalize site






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