Found 1 result

Search term: 78436608 (Found by CSID)
ChemSpider 2D Image | (5aR,8R)-5,5,8,11,11-Pentamethyl-8-vinyl-5,5a,6,7,8,11-hexahydro-1H-1-azacyclohepta[mno]aceanthrylene-10-carbonitrile | C26H28N2

(5aR,8R)-5,5,8,11,11-Pentamethyl-8-vinyl-5,5a,6,7,8,11-hexahydro-1H-1-azacyclohepta[mno]aceanthrylene-10-carbonitrile

  • Molecular FormulaC26H28N2
  • Average mass368.514 Da
  • Monoisotopic mass368.225250 Da
  • ChemSpider ID78436608

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5aR,8R)-5,5,8,11,11-Pentamethyl-8-vinyl-5,5a,6,7,8,11-hexahydro-1H-1-azacyclohepta[mno]aceanthrylen-10-carbonitril [German] [ACD/IUPAC Name]
(5aR,8R)-5,5,8,11,11-Pentamethyl-8-vinyl-5,5a,6,7,8,11-hexahydro-1H-1-azacyclohepta[mno]aceanthrylene-10-carbonitrile [ACD/IUPAC Name]
(5aR,8R)-5,5,8,11,11-Pentaméthyl-8-vinyl-5,5a,6,7,8,11-hexahydro-1H-1-azacyclohepta[mno]acéanthrylène-10-carbonitrile [French] [ACD/IUPAC Name]
1H-1-Azacyclohept[mno]aceanthrylene-10-carbonitrile, 8-ethenyl-5,5a,6,7,8,11-hexahydro-5,5,8,11,11-pentamethyl-, (5aR,8R)- [ACD/Index Name]
Ambiguine Q nitrile

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

Density: 1.2±0.1 g/cm3
Boiling Point: 557.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 167.7±15.3 °C
Index of Refraction: 1.641
Molar Refractivity: 114.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 7.35
ACD/BCF (pH 5.5): 226484.58
ACD/KOC (pH 5.5): 236980.16
ACD/LogD (pH 7.4): 7.35
ACD/BCF (pH 7.4): 226484.83
ACD/KOC (pH 7.4): 236980.42
Polar Surface Area: 40 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 316.8±5.0 cm3

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