ChemSpider 2D Image | N-(2-Chloroethyl)-N'-[(3beta,17beta)-3-hydroxyandrost-5-en-17-yl]-N-nitrosocarbamimidic acid | C22H34ClN3O3

N-(2-Chloroethyl)-N'-[(3β,17β)-3-hydroxyandrost-5-en-17-yl]-N-nitrosocarbamimidic acid

  • Molecular FormulaC22H34ClN3O3
  • Average mass423.977 Da
  • Monoisotopic mass423.228882 Da
  • ChemSpider ID57260288

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

Acide N-(2-chloroéthyl)-N'-[(3β,17β)-3-hydroxyandrost-5-én-17-yl]-N-nitrosocarbamimidique [French] [ACD/IUPAC Name]
Hydrazinecarboximidic acid, 1-(2-chloroethyl)-N-[(3β,17β)-3-hydroxyandrost-5-en-17-yl]-2-oxo- [ACD/Index Name]
N-(2-Chlorethyl)-N'-[(3β,17β)-3-hydroxyandrost-5-en-17-yl]-N-nitrosocarbamimidsäure [German] [ACD/IUPAC Name]
N-(2-Chloroethyl)-N'-[(3β,17β)-3-hydroxyandrost-5-en-17-yl]-N-nitrosocarbamimidic acid [ACD/IUPAC Name]
81912-55-2 [RN]
STURAMUSTINE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 560.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.8±6.0 kJ/mol
Flash Point: 292.5±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 111.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1243.73
ACD/KOC (pH 5.5): 5711.07
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1210.80
ACD/KOC (pH 7.4): 5559.86
Polar Surface Area: 85 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 302.9±7.0 cm3

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