ChemSpider 2D Image | (1R,3S,7aR)-1-Methyl-3-(2-methyl-2-propen-1-yl)hexahydro-1H-pyrrolizin-1-ol | C12H21NO

(1R,3S,7aR)-1-Methyl-3-(2-methyl-2-propen-1-yl)hexahydro-1H-pyrrolizin-1-ol

  • Molecular FormulaC12H21NO
  • Average mass195.301 Da
  • Monoisotopic mass195.162308 Da
  • ChemSpider ID30659927

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,3S,7aR)-1-Methyl-3-(2-methyl-2-propen-1-yl)hexahydro-1H-pyrrolizin-1-ol [German] [ACD/IUPAC Name]
(1R,3S,7aR)-1-Methyl-3-(2-methyl-2-propen-1-yl)hexahydro-1H-pyrrolizin-1-ol [ACD/IUPAC Name]
(1R,3S,7aR)-1-Méthyl-3-(2-méthyl-2-propén-1-yl)hexahydro-1H-pyrrolizin-1-ol [French] [ACD/IUPAC Name]
1H-Pyrrolizin-1-ol, hexahydro-1-methyl-3-(2-methyl-2-propen-1-yl)-, (1R,3S,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: 272.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 59.3±6.0 kJ/mol
Flash Point: 107.3±21.3 °C
Index of Refraction: 1.527
Molar Refractivity: 58.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.60
Polar Surface Area: 23 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 38.1±5.0 dyne/cm
Molar Volume: 190.2±5.0 cm3

Click to predict properties on the Chemicalize site


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