ChemSpider 2D Image | N-(4-Chlorobenzyl)-9-[(4-isobutylphenyl)sulfonyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine | C25H33ClN4O2S

N-(4-Chlorobenzyl)-9-[(4-isobutylphenyl)sulfonyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine

  • Molecular FormulaC25H33ClN4O2S
  • Average mass489.073 Da
  • Monoisotopic mass488.201263 Da
  • ChemSpider ID34426117

More details:

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

1,4,9-Triazaspiro[5.5]undec-4-en-5-amine, N-[(4-chlorophenyl)methyl]-9-[[4-(2-methylpropyl)phenyl]sulfonyl]- [ACD/Index Name]
N-(4-Chlorbenzyl)-9-[(4-isobutylphenyl)sulfonyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amin [German] [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-9-[(4-isobutylphenyl)sulfonyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-9-[(4-isobutylphényl)sulfonyl]-1,4,9-triazaspiro[5.5]undéc-4-én-5-amine [French] [ACD/IUPAC Name]
N-(4-chlorobenzyl)-N-{9-[(4-isobutylphenyl)sulfonyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-yl}amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 677.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.2±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 135.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 142.11
ACD/KOC (pH 5.5): 326.58
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 156.76
ACD/KOC (pH 7.4): 360.25
Polar Surface Area: 82 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 378.8±7.0 cm3

Click to predict properties on the Chemicalize site


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