ChemSpider 2D Image | (1S,9S)-1,13-Dimethyl-10-[3-(~2~H_3_)methyl(2,4,4,4-~2~H_4_)-2-buten-1-yl]-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-4-ol | C19H20D7NO

(1S,9S)-1,13-Dimethyl-10-[3-(2H3)methyl(2,4,4,4-2H4)-2-buten-1-yl]-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol

  • Molecular FormulaC19H20D7NO
  • Average mass292.467 Da
  • Monoisotopic mass292.253204 Da
  • ChemSpider ID48060559

  • defined stereocentres - 2 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)-1,13-Dimethyl-10-[3-(2H3)methyl(2,4,4,4-2H4)-2-buten-1-yl]-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [German] [ACD/IUPAC Name]
(1S,9S)-1,13-Dimethyl-10-[3-(2H3)methyl(2,4,4,4-2H4)-2-buten-1-yl]-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [ACD/IUPAC Name]
(1S,9S)-1,13-Diméthyl-10-[3-(2H3)méthyl(2,4,4,4-2H4)-2-butén-1-yl]-10-azatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-4-ol [French] [ACD/IUPAC Name]
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-[3-(methyl-d3)-2-buten-1-yl-2,4,4,4-d4]-, (2S,6S)- [ACD/Index Name]
1246812-20-3 [RN]

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

Density: 1.0±0.1 g/cm3
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: 1.554
Molar Refractivity: 88.2±0.3 cm3
#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: 35.0±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 275.2±3.0 cm3

Click to predict properties on the Chemicalize site


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