ChemSpider 2D Image | 4-Chloro-2-({3-[(1,2-dimethyl-4-nitro-1H-imidazol-5-yl)amino]-1-piperidinyl}methyl)phenol | C17H22ClN5O3

4-Chloro-2-({3-[(1,2-dimethyl-4-nitro-1H-imidazol-5-yl)amino]-1-piperidinyl}methyl)phenol

  • Molecular FormulaC17H22ClN5O3
  • Average mass379.841 Da
  • Monoisotopic mass379.141113 Da
  • ChemSpider ID30216395

More details:

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

4-Chlor-2-({3-[(1,2-dimethyl-4-nitro-1H-imidazol-5-yl)amino]-1-piperidinyl}methyl)phenol [German] [ACD/IUPAC Name]
4-Chloro-2-({3-[(1,2-dimethyl-4-nitro-1H-imidazol-5-yl)amino]-1-piperidinyl}methyl)phenol [ACD/IUPAC Name]
4-Chloro-2-({3-[(1,2-diméthyl-4-nitro-1H-imidazol-5-yl)amino]-1-pipéridinyl}méthyl)phénol [French] [ACD/IUPAC Name]
Phenol, 4-chloro-2-[[3-[(1,2-dimethyl-4-nitro-1H-imidazol-5-yl)amino]-1-piperidinyl]methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 599.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 316.2±30.1 °C
Index of Refraction: 1.672
Molar Refractivity: 98.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.58
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 33.93
ACD/KOC (pH 7.4): 276.96
Polar Surface Area: 99 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 261.9±7.0 cm3

Click to predict properties on the Chemicalize site


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