ChemSpider 2D Image | (9aR)-Octahydro-1H-pyrrolo[1,2-a]azepine | C9H17N

(9aR)-Octahydro-1H-pyrrolo[1,2-a]azepine

  • Molecular FormulaC9H17N
  • Average mass139.238 Da
  • Monoisotopic mass139.136093 Da
  • ChemSpider ID24195625
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(9aR)-Octahydro-1H-pyrrolo[1,2-a]azepin [German] [ACD/IUPAC Name]
(9aR)-Octahydro-1H-pyrrolo[1,2-a]azepine [ACD/IUPAC Name]
(9aR)-Octahydro-1H-pyrrolo[1,2-a]azépine [French] [ACD/IUPAC Name]
1H-Pyrrolo[1,2-a]azepine, octahydro-, (9aR)- [ACD/Index Name]
(R)-octahydro-1H-pyrrolo[1,2-a]azepine
1H-Pyrrolo[1,2-a]azepine, octahydro-, (9aR)- (9CI)
378248-39-6 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 193.2±8.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.9±3.0 kJ/mol
Flash Point: 63.1±15.3 °C
Index of Refraction: 1.503
Molar Refractivity: 43.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 3 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 34.2±5.0 dyne/cm
Molar Volume: 147.1±5.0 cm3

Click to predict properties on the Chemicalize site






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