ChemSpider 2D Image | (2S)-3-Amino-2-(4-chlorophenyl)propanoic acid | C9H10ClNO2

(2S)-3-Amino-2-(4-chlorophenyl)propanoic acid

  • Molecular FormulaC9H10ClNO2
  • Average mass199.634 Da
  • Monoisotopic mass199.040009 Da
  • ChemSpider ID25940738

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Amino-2-(4-chlorophenyl)propanoic acid [ACD/IUPAC Name]
(2S)-3-Amino-2-(4-chlorphenyl)propansäure [German] [ACD/IUPAC Name]
Acide (2S)-3-amino-2-(4-chlorophényl)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-(aminomethyl)-4-chloro-, (αS)- [ACD/Index Name]
(R)-3-Amino-2-(4-chloro-phenyl)-propionic acid
(S)-3-(p-chlorophenyl)-β-alanine
(S)-3-amino-2-(4-chlorophenyl)propanoic acid
(S)-3-Amino-2-(4-chloro-phenyl)-propionic acid
1001227-79-7 [RN]
131690-60-3 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 344.5±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 162.2±25.1 °C
Index of Refraction: 1.588
Molar Refractivity: 50.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 149.8±3.0 cm3

Click to predict properties on the Chemicalize site


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