ChemSpider 2D Image | (9aR,12aS)-(4-~11~C)-4,5,6,7,9,9a,10,11,12,12a-Decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]quinoline | C1411CH20N2

(9aR,12aS)-(4-11C)-4,5,6,7,9,9a,10,11,12,12a-Decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]quinoline

  • Molecular FormulaC1411CH20N2
  • Average mass227.333 Da
  • Monoisotopic mass227.174088 Da
  • ChemSpider ID31132305

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(9aR,12aS)-(4-11C)-4,5,6,7,9,9a,10,11,12,12a-Decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]chinolin [German] [ACD/IUPAC Name]
(9aR,12aS)-(4-11C)-4,5,6,7,9,9a,10,11,12,12a-Décahydrocyclopenta[c][1,4]diazépino[6,7,1-ij]quinoléine [French] [ACD/IUPAC Name]
(9aR,12aS)-(4-11C)-4,5,6,7,9,9a,10,11,12,12a-Decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]quinoline [ACD/IUPAC Name]
Cyclopenta[c][1,4]diazepino[6,7,1-ij]quinoline-4-11C, 4,5,6,7,9,9a,10,11,12,12a-decahydro-, (9aR,12aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 69.8±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 196.0±5.0 cm3

Click to predict properties on the Chemicalize site


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