ChemSpider 2D Image | (9aS,12aS)-4,5,6,7,9,9a,10,11,12,12a-Decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]quinoline | C15H20N2

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

  • Molecular FormulaC15H20N2
  • Average mass228.333 Da
  • Monoisotopic mass228.162643 Da
  • ChemSpider ID28426313

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9aS,12aS)-4,5,6,7,9,9a,10,11,12,12a-Decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]chinolin [German] [ACD/IUPAC Name]
(9aS,12aS)-4,5,6,7,9,9a,10,11,12,12a-Décahydrocyclopenta[c][1,4]diazépino[6,7,1-ij]quinoléine [French] [ACD/IUPAC Name]
(9aS,12aS)-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, 4,5,6,7,9,9a,10,11,12,12a-decahydro-, (9aS,12aS)- [ACD/Index Name]
620948-93-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 373.4±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 166.5±13.0 °C
Index of Refraction: 1.630
Molar Refractivity: 69.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 2.48
ACD/KOC (pH 7.4): 23.74
Polar Surface Area: 15 Å2
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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