ChemSpider 2D Image | (7alpha,9alpha,11xi)-Sparteine | C15H26N2

(7α,9α,11ξ)-Sparteine

  • Molecular FormulaC15H26N2
  • Average mass234.380 Da
  • Monoisotopic mass234.209595 Da
  • ChemSpider ID23074000
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(7α,9α,11ξ)-Spartein [German] [ACD/IUPAC Name]
(7α,9α,11ξ)-Sparteine [ACD/IUPAC Name]
(7α,9α,11ξ)-Spartéine [French] [ACD/IUPAC Name]
7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine, dodecahydro-, (7R,7aR,14R)- [ACD/Index Name]
(7R,7aR,14R)-Dodecahydro-7,14-methano-dipyrido[1,2-a;1',2'-e][1,5]diazocine
(7R,7aR,14R)-tetradecahydro-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocine hydrochloride

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

Density: 1.1±0.1 g/cm3
Boiling Point: 340.9±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 148.3±6.8 °C
Index of Refraction: 1.570
Molar Refractivity: 71.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.26
Polar Surface Area: 6 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 216.4±5.0 cm3

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