ChemSpider 2D Image | (1?,2?,6?)-N-(2-chloroethyl)-N'-(2,6-dihydroxycyclohexyl)-N-nitroso urea | C9H16ClN3O4

(1?,2?,6?)-N-(2-chloroethyl)-N'-(2,6-dihydroxycyclohexyl)-N-nitroso urea

  • Molecular FormulaC9H16ClN3O4
  • Average mass265.694 Da
  • Monoisotopic mass265.082947 Da
  • ChemSpider ID32778478

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1?,2?,6?)-N-(2-chloroethyl)-N'-(2,6-dihydroxycyclohexyl)-N-nitroso urea
1-(2-Chlorethyl)-3-[(1r,2R,6S)-2,6-dihydroxycyclohexyl]-1-nitrosoharnstoff [German] [ACD/IUPAC Name]
1-(2-Chloroethyl)-3-[(1r,2R,6S)-2,6-dihydroxycyclohexyl]-1-nitrosoureaato [ACD/IUPAC Name]
1-(2-Chloroéthyl)-3-[(1r,2R,6S)-2,6-dihydroxycyclohexyl]-1-nitrosourée [French] [ACD/IUPAC Name]
58484-17-6 [RN]
Urea, N-(2-chloroethyl)-N'-[(1β,2α,6α)-2,6-dihydroxycyclohexyl]-N-nitroso- [ACD/Index Name]
DONU
N-(2-CHLOROETHYL)-N'-(2,6-DIHYDROXYCYCLOHEXYL)-N-NITROSO UREA, (1α,2β,6β)-
Urea, N-(2-chloroethyl)-N'-(2,6-dihydroxycyclohexyl)-N-nitroso-, (1α,2β,6β)-
Urea, N-(2-chloroethyl)-N'-(2,6-dihydroxyhexyl)-N-nitroso-

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

4093G4WO6Q [DBID]
UNII:4093G4WO6Q [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 59.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.17
ACD/KOC (pH 5.5): 38.89
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 38.57
Polar Surface Area: 102 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 167.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement