ChemSpider 2D Image | 1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,5a,6,6a,7,9a,10,10a,10b,11,12,12a-octadecahydrocyclopenta[5,6]naphtho[1,2-f]indazole-1,2-diol | C21H34N2O2

1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,5a,6,6a,7,9a,10,10a,10b,11,12,12a-octadecahydrocyclopenta[5,6]naphtho[1,2-f]indazole-1,2-diol

  • Molecular FormulaC21H34N2O2
  • Average mass346.507 Da
  • Monoisotopic mass346.262024 Da
  • ChemSpider ID26504614

More details:






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

1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,5a,6,6a,7,9a,10,10a,10b,11,12,12a-octadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1,2-diol [German] [ACD/IUPAC Name]
1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,5a,6,6a,7,9a,10,10a,10b,11,12,12a-octadecahydrocyclopenta[5,6]naphtho[1,2-f]indazole-1,2-diol [ACD/IUPAC Name]
1,10a,12a-Triméthyl-1,2,3,3a,3b,4,5,5a,6,6a,7,9a,10,10a,10b,11,12,12a-octadécahydrocyclopenta[5,6]naphto[1,2-f]indazole-1,2-diol [French] [ACD/IUPAC Name]
Cyclopenta[5,6]naphth[1,2-f]indazole-1,2-diol, 1,2,3,3a,3b,4,5,5a,6,6a,7,9a,10,10a,10b,11,12,12a-octadecahydro-1,10a,12a-trimethyl- [ACD/Index Name]
14753-51-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 481.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 86.0±6.0 kJ/mol
Flash Point: 245.0±28.7 °C
Index of Refraction: 1.705
Molar Refractivity: 95.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 101.91
ACD/KOC (pH 5.5): 877.33
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.78
ACD/KOC (pH 7.4): 1168.89
Polar Surface Area: 65 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 245.5±7.0 cm3

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