ChemSpider 2D Image | (2S)-3-Amino-1-chloro-4-phenyl-2-butanol | C10H14ClNO

(2S)-3-Amino-1-chloro-4-phenyl-2-butanol

  • Molecular FormulaC10H14ClNO
  • Average mass199.677 Da
  • Monoisotopic mass199.076385 Da
  • ChemSpider ID75226527

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-3-Amino-1-chlor-4-phenyl-2-butanol [German] [ACD/IUPAC Name]
(2S)-3-Amino-1-chloro-4-phenyl-2-butanol [ACD/IUPAC Name]
(2S)-3-Amino-1-chloro-4-phényl-2-butanol [French] [ACD/IUPAC Name]
Benzenepropanol, β-amino-α-(chloromethyl)-, (αS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 364.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 174.2±27.9 °C
Index of Refraction: 1.565
Molar Refractivity: 54.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): -1.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.46
Polar Surface Area: 46 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 168.6±3.0 cm3

Click to predict properties on the Chemicalize site


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