ChemSpider 2D Image | (1S)-2-{(2R)-2-Butanyl[(2S)-2-butanyl]amino}-1-[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]ethanol | C21H31ClN2O

(1S)-2-{(2R)-2-Butanyl[(2S)-2-butanyl]amino}-1-[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]ethanol

  • Molecular FormulaC21H31ClN2O
  • Average mass362.937 Da
  • Monoisotopic mass362.212494 Da
  • ChemSpider ID34994243

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S)-2-{(2R)-2-Butanyl[(2S)-2-butanyl]amino}-1-[1-(2-chlorbenzyl)-1H-pyrrol-2-yl]ethanol [German] [ACD/IUPAC Name]
(1S)-2-{(2R)-2-Butanyl[(2S)-2-butanyl]amino}-1-[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]ethanol [ACD/IUPAC Name]
(1S)-2-{(2R)-2-Butanyl[(2S)-2-butanyl]amino}-1-[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]éthanol [French] [ACD/IUPAC Name]
1H-Pyrrole-2-methanol, 1-[(2-chlorophenyl)methyl]-α-[[[(1R)-1-methylpropyl][(1S)-1-methylpropyl]amino]methyl]-, (αS)- [ACD/Index Name]
21363-18-8 [RN]
244-347-8 [EINECS]
UNII-TPV54G6XBG
Viminol [INN] [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 321.3±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 148.1±22.1 °C
Index of Refraction: 1.544
Molar Refractivity: 106.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 3.24
ACD/KOC (pH 5.5): 10.72
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 12.12
ACD/KOC (pH 7.4): 40.12
Polar Surface Area: 28 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 35.9±7.0 dyne/cm
Molar Volume: 338.3±7.0 cm3

Click to predict properties on the Chemicalize site


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