ChemSpider 2D Image | (1S,2S,5S)-2-[Benzyl(4-chlorobenzyl)amino]-5-[benzyl(methyl)amino]cyclopentanol | C27H31ClN2O

(1S,2S,5S)-2-[Benzyl(4-chlorobenzyl)amino]-5-[benzyl(methyl)amino]cyclopentanol

  • Molecular FormulaC27H31ClN2O
  • Average mass435.001 Da
  • Monoisotopic mass434.212494 Da
  • ChemSpider ID68411176

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2S,5S)-2-[Benzyl(4-chlorbenzyl)amino]-5-[benzyl(methyl)amino]cyclopentanol [German] [ACD/IUPAC Name]
(1S,2S,5S)-2-[Benzyl(4-chlorobenzyl)amino]-5-[benzyl(methyl)amino]cyclopentanol [ACD/IUPAC Name]
(1S,2S,5S)-2-[Benzyl(4-chlorobenzyl)amino]-5-[benzyl(méthyl)amino]cyclopentanol [French] [ACD/IUPAC Name]
Cyclopentanol, 2-[[(4-chlorophenyl)methyl](phenylmethyl)amino]-5-[methyl(phenylmethyl)amino]-, (1S,2S,5S)- [ACD/Index Name]
(1S,2S,5S)-2-[benzyl-[(4-chlorophenyl)methyl]amino]-5-[benzyl(methyl)amino]cyclopentan-1-ol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 575.6±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 301.9±29.8 °C
Index of Refraction: 1.640
Molar Refractivity: 129.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 19.67
ACD/KOC (pH 5.5): 54.07
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1267.56
ACD/KOC (pH 7.4): 3484.33
Polar Surface Area: 27 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 360.3±5.0 cm3

Click to predict properties on the Chemicalize site


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