ChemSpider 2D Image | 1,1'-[1,4-Cyclohexanediylbis(methylene)]bis{1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea} | C38H58N6O2

1,1'-[1,4-Cyclohexanediylbis(methylene)]bis{1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea}

  • Molecular FormulaC38H58N6O2
  • Average mass630.906 Da
  • Monoisotopic mass630.462097 Da
  • ChemSpider ID8006426

More details:

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

1,1'-(1,4-Cyclohexandiyldimethylen)bis{1-cyclohexyl-3-[4-(dimethylamino)phenyl]harnstoff} [German] [ACD/IUPAC Name]
1,1'-(1,4-Cyclohexanediyldiméthylène)bis{1-cyclohexyl-3-[4-(diméthylamino)phényl]urée} [French] [ACD/IUPAC Name]
1,1'-[1,4-Cyclohexanediylbis(methylene)]bis{1-cyclohexyl-3-[4-(dimethylamino)phenyl]urea} [ACD/IUPAC Name]
Urea, N,N''-[1,4-cyclohexanediylbis(methylene)]bis[N-cyclohexyl-N'-[4-(dimethylamino)phenyl]- [ACD/Index Name]
1-Cyclohexyl-1-[[4-[[cyclohexyl-[[4-(dimethylamino)phenyl]carbamoyl]amino]methyl]cyclohexyl]methyl]-3-[4-(dimethylamino)phenyl]urea
nte-122

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

Density: 1.1±0.1 g/cm3
Boiling Point: 828.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 454.6±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 188.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.15
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 10383.30
ACD/KOC (pH 5.5): 9687.53
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 301459.16
ACD/KOC (pH 7.4): 281258.88
Polar Surface Area: 71 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 550.1±5.0 cm3

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