ChemSpider 2D Image | 3-Chloro-N-[(2S)-1-phenyl-2-propanyl]-1-propanamine | C12H18ClN

3-Chloro-N-[(2S)-1-phenyl-2-propanyl]-1-propanamine

  • Molecular FormulaC12H18ClN
  • Average mass211.731 Da
  • Monoisotopic mass211.112778 Da
  • ChemSpider ID34991855

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Chlor-N-[(2S)-1-phenyl-2-propanyl]-1-propanamin [German] [ACD/IUPAC Name]
3-Chloro-N-[(2S)-1-phenyl-2-propanyl]-1-propanamine [ACD/IUPAC Name]
3-Chloro-N-[(2S)-1-phényl-2-propanyl]-1-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, N-(3-chloropropyl)-α-methyl-, (αS)- [ACD/Index Name]
17243-57-1 [RN]
241-279-0 [EINECS]
mefenorex [INN]
UNII-K98M4N387W

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

Density: 1.0±0.1 g/cm3
Boiling Point: 305.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.5±3.0 kJ/mol
Flash Point: 138.3±23.2 °C
Index of Refraction: 1.513
Molar Refractivity: 62.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.66
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 1.68
ACD/KOC (pH 7.4): 11.90
Polar Surface Area: 12 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 208.9±3.0 cm3

Click to predict properties on the Chemicalize site


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