ChemSpider 2D Image | (7aR)-7-Methylenehexahydro-1H-pyrrolizin-1-yl (2Z)-2-methyl-2-butenoate | C13H19NO2

(7aR)-7-Methylenehexahydro-1H-pyrrolizin-1-yl (2Z)-2-methyl-2-butenoate

  • Molecular FormulaC13H19NO2
  • Average mass221.296 Da
  • Monoisotopic mass221.141586 Da
  • ChemSpider ID57641804

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2Z)-2-Méthyl-2-buténoate de (7aR)-7-méthylènehexahydro-1H-pyrrolizin-1-yle [French] [ACD/IUPAC Name]
(7aR)-7-Methylenehexahydro-1H-pyrrolizin-1-yl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
(7aR)-7-Methylenhexahydro-1H-pyrrolizin-1-yl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (7aR)-hexahydro-7-methylene-1H-pyrrolizin-1-yl ester, (2Z)- [ACD/Index Name]
59518-70-6 [RN]
7[α]-angelyl-1-methylene-8[α]-pyrrolizidine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 298.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.8±3.0 kJ/mol
Flash Point: 106.2±16.3 °C
Index of Refraction: 1.527
Molar Refractivity: 63.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 5.45
ACD/KOC (pH 5.5): 56.95
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 60.04
ACD/KOC (pH 7.4): 627.46
Polar Surface Area: 30 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 37.8±5.0 dyne/cm
Molar Volume: 205.1±5.0 cm3

Click to predict properties on the Chemicalize site


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