ChemSpider 2D Image | (1S)-2-(4'-Chloro-4-biphenylyl)-N-(2-cyclohexylethyl)cyclopropanamine | C23H28ClN

(1S)-2-(4'-Chloro-4-biphenylyl)-N-(2-cyclohexylethyl)cyclopropanamine

  • Molecular FormulaC23H28ClN
  • Average mass353.928 Da
  • Monoisotopic mass353.191040 Da
  • ChemSpider ID129024625

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-2-(4'-Chlor-4-biphenylyl)-N-(2-cyclohexylethyl)cyclopropanamin [German] [ACD/IUPAC Name]
(1S)-2-(4'-Chloro-4-biphenylyl)-N-(2-cyclohexylethyl)cyclopropanamine [ACD/IUPAC Name]
(1S)-2-(4'-Chloro-4-biphénylyl)-N-(2-cyclohexyléthyl)cyclopropanamine [French] [ACD/IUPAC Name]
Cyclohexaneethanamine, N-[(1S)-2-(4'-chloro[1,1'-biphenyl]-4-yl)cyclopropyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 486.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.2±28.7 °C
Index of Refraction: 1.600
Molar Refractivity: 106.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.87
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 24.28
ACD/KOC (pH 5.5): 49.16
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 533.22
ACD/KOC (pH 7.4): 1079.51
Polar Surface Area: 12 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 312.1±5.0 cm3

Click to predict properties on the Chemicalize site


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