ChemSpider 2D Image | 3-{[5-(Aminomethyl)-2-pyrimidinyl]methyl}-1-(2-chloroethyl)-1-nitrosourea | C9H13ClN6O2

3-{[5-(Aminomethyl)-2-pyrimidinyl]methyl}-1-(2-chloroethyl)-1-nitrosourea

  • Molecular FormulaC9H13ClN6O2
  • Average mass272.691 Da
  • Monoisotopic mass272.078857 Da
  • ChemSpider ID66738360

More details:

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

3-{[5-(Aminomethyl)-2-pyrimidinyl]methyl}-1-(2-chlorethyl)-1-nitrosoharnstoff [German] [ACD/IUPAC Name]
3-{[5-(Aminomethyl)-2-pyrimidinyl]methyl}-1-(2-chloroethyl)-1-nitrosourea [ACD/IUPAC Name]
3-{[5-(Aminométhyl)-2-pyrimidinyl]méthyl}-1-(2-chloroéthyl)-1-nitrosourée [French] [ACD/IUPAC Name]
Urea, N'-[[5-(aminomethyl)-2-pyrimidinyl]methyl]-N-(2-chloroethyl)-N-nitroso- [ACD/Index Name]
1-[5-(4-amino-2-methyl)pyrimidyl]methyl-3-(2-chloroethyl)-3-nitrosourea

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.656
Molar Refractivity: 65.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.55
ACD/LogD (pH 5.5): -2.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.09
Polar Surface Area: 114 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 64.1±7.0 dyne/cm
Molar Volume: 179.4±7.0 cm3

Click to predict properties on the Chemicalize site


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