ChemSpider 2D Image | [(3aR,7aS)-2-Benzyl-5-methyloctahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol | C16H24N2O

[(3aR,7aS)-2-Benzyl-5-methyloctahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol

  • Molecular FormulaC16H24N2O
  • Average mass260.375 Da
  • Monoisotopic mass260.188873 Da
  • ChemSpider ID114876192

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(3aR,7aS)-2-Benzyl-5-methyloctahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol [German] [ACD/IUPAC Name]
[(3aR,7aS)-2-Benzyl-5-methyloctahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol [ACD/IUPAC Name]
[(3aR,7aS)-2-Benzyl-5-méthyloctahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]méthanol [French] [ACD/IUPAC Name]
7aH-Pyrrolo[3,4-c]pyridine-7a-methanol, octahydro-5-methyl-2-(phenylmethyl)-, (3aR,7aS)- [ACD/Index Name]
2828433-83-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 349.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 147.7±22.4 °C
Index of Refraction: 1.575
Molar Refractivity: 77.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): -2.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 27 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 234.4±3.0 cm3

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