ChemSpider 2D Image | (1S,6R,7R,7aS)-N,N-Dimethylhexahydro-1H-1,6-epoxypyrrolizin-7-amine | C9H16N2O

(1S,6R,7R,7aS)-N,N-Dimethylhexahydro-1H-1,6-epoxypyrrolizin-7-amine

  • Molecular FormulaC9H16N2O
  • Average mass168.236 Da
  • Monoisotopic mass168.126266 Da
  • ChemSpider ID21251110

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3S,7S,8R)-N,N-Dimethyl-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-amin [German] [ACD/IUPAC Name]
(1R,3S,7S,8R)-N,N-Dimethyl-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-amine [ACD/IUPAC Name]
(1R,3S,7S,8R)-N,N-Diméthyl-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-amine [French] [ACD/IUPAC Name]
(1S,6R,7R,7aS)-N,N-Dimethylhexahydro-1H-1,6-epoxypyrrolizin-7-amine
2,4-Methano-4H-furo[3,2-b]pyrrol-3-amine, hexahydro-N,N-dimethyl-, (2R,3R,3aS,6aS)- [ACD/Index Name]
N-Methylloline

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

Density: 1.2±0.1 g/cm3
Boiling Point: 235.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.2±3.0 kJ/mol
Flash Point: 68.0±23.2 °C
Index of Refraction: 1.571
Molar Refractivity: 47.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -1.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.14
Polar Surface Area: 16 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 143.1±5.0 cm3

Click to predict properties on the Chemicalize site


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