ChemSpider 2D Image | (7aR)-6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine | C14H20N2

(7aR)-6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine

  • Molecular FormulaC14H20N2
  • Average mass216.322 Da
  • Monoisotopic mass216.162643 Da
  • ChemSpider ID29786484

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(7aR)-6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridin [German] [ACD/IUPAC Name]
(7aR)-6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine [ACD/IUPAC Name]
(7aR)-6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine [French] [ACD/IUPAC Name]
1H-Pyrrolo[3,4-b]pyridine, octahydro-6-(phenylmethyl)-, (7aR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 322.2±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 130.8±11.9 °C
Index of Refraction: 1.558
Molar Refractivity: 66.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): -1.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 15 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 206.1±3.0 cm3

Click to predict properties on the Chemicalize site


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