ChemSpider 2D Image | Ibazocine | C20H29NO

Ibazocine

  • Molecular FormulaC20H29NO
  • Average mass299.450 Da
  • Monoisotopic mass299.224915 Da
  • ChemSpider ID27470962
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1S,9R)-1,13,13-Trimethyl-10-(3-methyl-2-buten-1-yl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [German] [ACD/IUPAC Name]
(1S,9R)-1,13,13-Trimethyl-10-(3-methyl-2-buten-1-yl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [ACD/IUPAC Name]
(1S,9R)-1,13,13-Triméthyl-10-(3-méthyl-2-butén-1-yl)-10-azatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-4-ol [French] [ACD/IUPAC Name]
1,13,13-trimethyl-10-(3-methyl-2-buten-1-yl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol
161094WKHI
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11,11-trimethyl-3-(3-methyl-2-buten-1-yl)-, (2R,6S)- [ACD/Index Name]
4021
Ibazocina [Spanish] [INN]
Ibazocinum [Latin] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 407.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 176.3±27.4 °C
Index of Refraction: 1.545
Molar Refractivity: 92.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 5.22
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 24.59
ACD/KOC (pH 7.4): 122.73
Polar Surface Area: 23 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 293.7±3.0 cm3

Click to predict properties on the Chemicalize site





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