ChemSpider 2D Image | (3S)-6-(1-Aziridinyl)-7-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl acetate | C15H15N3O4

(3S)-6-(1-Aziridinyl)-7-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl acetate

  • Molecular FormulaC15H15N3O4
  • Average mass301.297 Da
  • Monoisotopic mass301.106262 Da
  • ChemSpider ID28514740

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-6-(1-Aziridinyl)-7-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl acetate [ACD/IUPAC Name]
(3S)-6-(1-Aziridinyl)-7-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl-acetat [German] [ACD/IUPAC Name]
1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 3-(acetyloxy)-6-(1-aziridinyl)-2,3-dihydro-7-methyl-, (3S)- [ACD/Index Name]
Acétate de (3S)-6-(1-aziridinyl)-7-méthyl-5,8-dioxo-2,3,5,8-tétrahydro-1H-pyrrolo[1,2-a]benzimidazol-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 531.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.0±30.1 °C
Index of Refraction: 1.770
Molar Refractivity: 76.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.00
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.60
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.60
Polar Surface Area: 81 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 67.0±7.0 dyne/cm
Molar Volume: 182.9±7.0 cm3

Click to predict properties on the Chemicalize site


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