ChemSpider 2D Image | N-[(2R)-2-Butanyl]-1-(2-chlorophenyl)-N-(~11~C)methyl-3-isoquinolinecarboxamide | C2011CH21ClN2O

N-[(2R)-2-Butanyl]-1-(2-chlorophenyl)-N-(11C)methyl-3-isoquinolinecarboxamide

  • Molecular FormulaC2011CH21ClN2O
  • Average mass351.858 Da
  • Monoisotopic mass351.145660 Da
  • ChemSpider ID28647319

  • 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

157727-22-5 [RN]
3-Isoquinolinecarboxamide, 1-(2-chlorophenyl)-N-(methyl-11C)-N-[(1R)-1-methylpropyl]- [ACD/Index Name]
N-[(2R)-2-Butanyl]-1-(2-chlorophényl)-N-(11C)méthyl-3-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
N-[(2R)-2-Butanyl]-1-(2-chlorophenyl)-N-(11C)methyl-3-isoquinolinecarboxamide [ACD/IUPAC Name]
N-[(2R)-2-Butanyl]-1-(2-chlorphenyl)-N-(11C)methyl-3-isochinolincarboxamid [German] [ACD/IUPAC Name]
124236-60-8 [RN]
PK-11195 C-11
PK-11195 C-11, R-
UNII-82WT506R12

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

GF8YTI2N67 [DBID]
UNII:GF8YTI2N67 [DBID]
UNII-GF8YTI2N67 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.611
Molar Refractivity: 103.9±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: 41.2±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 299.2±3.0 cm3

Click to predict properties on the Chemicalize site


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