ChemSpider 2D Image | 1-(4-Amino-2-methyl-5-pyrimidinyl)-1-(2-chloroethyl)-3-methyl-3-nitrosourea | C9H13ClN6O2

1-(4-Amino-2-methyl-5-pyrimidinyl)-1-(2-chloroethyl)-3-methyl-3-nitrosourea

  • Molecular FormulaC9H13ClN6O2
  • Average mass272.691 Da
  • Monoisotopic mass272.078857 Da
  • ChemSpider ID67154894

More details:

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

1-(4-Amino-2-methyl-5-pyrimidinyl)-1-(2-chlorethyl)-3-methyl-3-nitrosoharnstoff [German] [ACD/IUPAC Name]
1-(4-Amino-2-methyl-5-pyrimidinyl)-1-(2-chloroethyl)-3-methyl-3-nitrosourea [ACD/IUPAC Name]
1-(4-Amino-2-méthyl-5-pyrimidinyl)-1-(2-chloroéthyl)-3-méthyl-3-nitrosourée [French] [ACD/IUPAC Name]
Urea, N-(4-amino-2-methyl-5-pyrimidinyl)-N-(2-chloroethyl)-N'-methyl-N'-nitroso- [ACD/Index Name]
1-(4-amino-2-methyl-5-pyrimidinyl)-methyl-(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: 405.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 199.2±31.5 °C
Index of Refraction: 1.643
Molar Refractivity: 66.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 24.80
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.29
ACD/KOC (pH 7.4): 80.86
Polar Surface Area: 105 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 183.7±7.0 cm3

Click to predict properties on the Chemicalize site


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