ChemSpider 2D Image | SEPTICINE | C24H29NO4

SEPTICINE

  • Molecular FormulaC24H29NO4
  • Average mass395.491 Da
  • Monoisotopic mass395.209656 Da
  • ChemSpider ID28667909
  • defined stereocentres - 1 of 1 defined stereocentres


More details:



Featured data source



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

(8aS)-6,7-Bis(3,4-dimethoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizin [German] [ACD/IUPAC Name]
(8aS)-6,7-Bis(3,4-dimethoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizine [ACD/IUPAC Name]
(8aS)-6,7-Bis(3,4-diméthoxyphényl)-1,2,3,5,8,8a-hexahydroindolizine [French] [ACD/IUPAC Name]
Indolizine, 6,7-bis(3,4-dimethoxyphenyl)-1,2,3,5,8,8a-hexahydro-, (8aS)- [ACD/Index Name]
SEPTICINE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 530.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 148.3±27.3 °C
Index of Refraction: 1.600
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 10.38
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 92.46
ACD/KOC (pH 7.4): 520.29
Polar Surface Area: 40 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 330.9±5.0 cm3

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