ChemSpider 2D Image | URB447 | C25H21ClN2O

URB447

  • Molecular FormulaC25H21ClN2O
  • Average mass400.900 Da
  • Monoisotopic mass400.134247 Da
  • ChemSpider ID24716929

More details:

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

[4-Amino-1-(4-chlorbenzyl)-2-methyl-5-phenyl-1H-pyrrol-3-yl](phenyl)methanon [German] [ACD/IUPAC Name]
[4-Amino-1-(4-chlorobenzyl)-2-methyl-5-phenyl-1H-pyrrol-3-yl](phenyl)methanone [ACD/IUPAC Name]
[4-Amino-1-(4-chlorobenzyl)-2-méthyl-5-phényl-1H-pyrrol-3-yl](phényl)méthanone [French] [ACD/IUPAC Name]
1132922-57-6 [RN]
Methanone, [4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenyl-1H-pyrrol-3-yl]phenyl- [ACD/Index Name]
URB447
[4-?AMINO-?1-?[(4-?CHLOROPHENYL)METHYL]-?2-?METHYL-?5-?PHENYL-?1H-?PYRROL-?3-?YL]PHENYL-?METHA
[4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenyl-1H-pyrrol-3-yl]phenyl-methanone
[4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrol-3-yl]-phenylmethanone
{4-Amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenyl-1H-pyrrol-3-yl}(phenyl)methanone
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 568.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.7±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 118.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7163.72
ACD/KOC (pH 5.5): 20002.97
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7164.01
ACD/KOC (pH 7.4): 20003.79
Polar Surface Area: 48 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 334.1±7.0 cm3

Click to predict properties on the Chemicalize site


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