ChemSpider 2D Image | (2R)-2-[2,5-Bis(1-aziridinyl)-4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl]-2-methoxyethyl carbamate | C15H19N3O5

(2R)-2-[2,5-Bis(1-aziridinyl)-4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl]-2-methoxyethyl carbamate

  • Molecular FormulaC15H19N3O5
  • Average mass321.328 Da
  • Monoisotopic mass321.132477 Da
  • ChemSpider ID26401067

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[2,5-Bis(1-aziridinyl)-4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl]-2-methoxyethyl carbamate [ACD/IUPAC Name]
(2R)-2-[2,5-Bis(1-aziridinyl)-4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl]-2-methoxyethylcarbamat [German] [ACD/IUPAC Name]
2,5-Cyclohexadiene-1,4-dione, 2-[(1R)-2-[(aminocarbonyl)oxy]-1-methoxyethyl]-3,6-bis(1-aziridinyl)-5-methyl- [ACD/Index Name]
Carbamate de (2R)-2-[2,5-bis(1-aziridinyl)-4-méthyl-3,6-dioxo-1,4-cyclohexadién-1-yl]-2-méthoxyéthyle [French] [ACD/IUPAC Name]
24279-91-2 [RN]
Carboquone [INN] [JAN] [USAN] [Wiki]
UNII-1CB0HBT12C

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

Density: 1.5±0.1 g/cm3
Boiling Point: 532.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.7±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 79.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.84
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.84
Polar Surface Area: 102 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 76.6±3.0 dyne/cm
Molar Volume: 216.0±3.0 cm3

Click to predict properties on the Chemicalize site


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