ChemSpider 2D Image | (1S,9S,13S)-1,13-Dimethyl-10-(3-methyl-2-buten-1-yl)(3,5-~3~H_2_)-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-4-ol | C19H25T2NO

(1S,9S,13S)-1,13-Dimethyl-10-(3-methyl-2-buten-1-yl)(3,5-3H2)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol

  • Molecular FormulaC19H25T2NO
  • Average mass289.440 Da
  • Monoisotopic mass289.225708 Da
  • ChemSpider ID29409304

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S,9S,13S)-1,13-Dimethyl-10-(3-methyl-2-buten-1-yl)(3,5-3H2)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [German] [ACD/IUPAC Name]
(1S,9S,13S)-1,13-Dimethyl-10-(3-methyl-2-buten-1-yl)(3,5-3H2)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [ACD/IUPAC Name]
(1S,9S,13S)-1,13-Diméthyl-10-(3-méthyl-2-butén-1-yl)(3,5-3H2)-10-azatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-4-ol [French] [ACD/IUPAC Name]
2,6-Methano-3-benzazocin-7,9-t2-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-buten-1-yl)-, (2S,6S,11S)- [ACD/Index Name]
[3H]pentazocine

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

Density:
Boiling Point: 403.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 180.8±27.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.21
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 13.07
ACD/KOC (pH 7.4): 79.94
Polar Surface Area: 23 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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