ChemSpider 2D Image | (R)-PK11195 | C21H21ClN2O

(R)-PK11195

  • Molecular FormulaC21H21ClN2O
  • Average mass352.857 Da
  • Monoisotopic mass352.134247 Da
  • ChemSpider ID21250665

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-PK11195
3-Isoquinolinecarboxamide, 1-(2-chlorophenyl)-N-methyl-N-[(1R)-1-methylpropyl]- [ACD/Index Name]
85340-56-3 [RN]
N-[(2R)-2-Butanyl]-1-(2-chlorophényl)-N-méthyl-3-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
N-[(2R)-2-Butanyl]-1-(2-chlorophenyl)-N-methyl-3-isoquinolinecarboxamide [ACD/IUPAC Name]
N-[(2R)-2-Butanyl]-1-(2-chlorphenyl)-N-methyl-3-isochinolincarboxamid [German] [ACD/IUPAC Name]
N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
(R)-N-(sec-butyl)-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
(S)1-(2-Chloro-phenyl)-isoquinoline-3-carboxylic acid sec-butyl-methyl-amide
1-(2-Chloro-phenyl)-isoquinoline-3-carboxylic acid ((R)-sec-butyl)-methyl-amide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PK 11195 [DBID]
PK-11195 [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: 511.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.3±28.7 °C
Index of Refraction: 1.611
Molar Refractivity: 103.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3322.13
ACD/KOC (pH 5.5): 11539.89
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3322.72
ACD/KOC (pH 7.4): 11541.96
Polar Surface Area: 33 Å2
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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