ChemSpider 2D Image | (2S)-2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl][(~11~C)methyl]amino}-2-isopropylpentanenitrile | C2611CH38N2O4

(2S)-2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl][(11C)methyl]amino}-2-isopropylpentanenitrile

  • Molecular FormulaC2611CH38N2O4
  • Average mass453.602 Da
  • Monoisotopic mass453.294586 Da
  • ChemSpider ID9092670

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl][(11C)methyl]amino}-2-isopropylpentanenitrile [ACD/IUPAC Name]
(2S)-2-(3,4-Diméthoxyphényl)-5-{[2-(3,4-diméthoxyphényl)éthyl][(11C)méthyl]amino}-2-isopropylpentanenitrile [French] [ACD/IUPAC Name]
(2S)-2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl][(11C)methyl]amino}-2-isopropylpentannitril [German] [ACD/IUPAC Name]
Benzeneacetonitrile, α-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methyl-11C-amino]propyl]-3,4-dimethoxy-α-(1-methylethyl)-, (αS)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.526
Molar Refractivity: 131.9±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 429.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement