ChemSpider 2D Image | 1,1'-[1,3-Phenylenebis(methylene)]bis{1-cycloheptyl-3-[4-(dimethylamino)phenyl]urea} | C40H56N6O2

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

  • Molecular FormulaC40H56N6O2
  • Average mass652.912 Da
  • Monoisotopic mass652.446472 Da
  • ChemSpider ID156906

More details:

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

1,1'-(1,3-Phenylendimethylen)bis{1-cycloheptyl-3-[4-(dimethylamino)phenyl]harnstoff} [German] [ACD/IUPAC Name]
1,1'-(1,3-Phénylènediméthylène)bis{1-cycloheptyl-3-[4-(diméthylamino)phényl]urée} [French] [ACD/IUPAC Name]
1,1'-[1,3-Phenylenebis(methylene)]bis{1-cycloheptyl-3-[4-(dimethylamino)phenyl]urea} [ACD/IUPAC Name]
Urea, N,N''-[1,3-phenylenebis(methylene)]bis[N-cycloheptyl-N'-[4-(dimethylamino)phenyl]- [ACD/Index Name]
124900-72-7 [RN]
1-CYCLOHEPTYL-1-({3-[(1-CYCLOHEPTYL{[4-(DIMETHYLAMINO)PHENYL]CARBAMOYL}AMINO)METHYL]PHENYL}METHYL)-3-[4-(DIMETHYLAMINO)PHENYL]UREA
1-Cycloheptyl-1-[[3-[[cycloheptyl-[[4-(dimethylamino)phenyl]carbamoyl]amino]methyl]phenyl]methyl]-3-[4-(dimethylamino)phenyl]urea
YM17E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 862.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 475.5±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 197.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.77
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 21379.50
ACD/KOC (pH 5.5): 16903.51
ACD/LogD (pH 7.4): 7.86
ACD/BCF (pH 7.4): 544940.50
ACD/KOC (pH 7.4): 430852.25
Polar Surface Area: 71 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 561.1±5.0 cm3

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