ChemSpider 2D Image | 1-(2-Chloroethyl)-3-(cis-4-methylcyclohexyl)-1-nitrosourea | C10H18ClN3O2

1-(2-Chloroethyl)-3-(cis-4-methylcyclohexyl)-1-nitrosourea

  • Molecular FormulaC10H18ClN3O2
  • Average mass247.722 Da
  • Monoisotopic mass247.108749 Da
  • ChemSpider ID23354365

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(2-Chlorethyl)-3-(cis-4-methylcyclohexyl)-1-nitrosoharnstoff [German] [ACD/IUPAC Name]
1-(2-Chloroethyl)-3-(cis-4-methylcyclohexyl)-1-nitrosourea [ACD/IUPAC Name]
1-(2-Chloroéthyl)-3-(cis-4-méthylcyclohexyl)-1-nitrosourée [French] [ACD/IUPAC Name]
33185-87-4 [RN]
cis-N-(2-chloroethyl)-N'-(4-methylcyclohexyl)-N-nitroso-urea
Urea, N-(2-chloroethyl)-N'-(cis-4-methylcyclohexyl)-N-nitroso- [ACD/Index Name]
13909-09-6 [RN]
Semustine [INN] [USAN] [Wiki]
SEMUSTINE, CIS-
UNII-6YY7T1T567
More...

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

2281H4FBL9 [DBID]
UNII:2281H4FBL9 [DBID]
UNII-2281H4FBL9 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.575
Molar Refractivity: 62.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 126.83
ACD/KOC (pH 5.5): 1114.55
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 126.79
ACD/KOC (pH 7.4): 1114.20
Polar Surface Area: 62 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 188.3±7.0 cm3

Click to predict properties on the Chemicalize site


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