ChemSpider 2D Image | Nabazenil | C35H55NO3

Nabazenil

  • Molecular FormulaC35H55NO3
  • Average mass537.816 Da
  • Monoisotopic mass537.418213 Da
  • ChemSpider ID143331

More details:






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

1H-Azepine-1-butanoic acid, hexahydro-, 3-(1,2-dimethylheptyl)-7,8,9,10-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-1-yl ester [ACD/Index Name]
4-(1-Azépanyl)butanoate de 6,6,9-triméthyl-3-(3-méthyl-2-octanyl)-7,8,9,10-tétrahydro-6H-benzo[c]chromén-1-yle [French] [ACD/IUPAC Name]
58019-65-1 [RN]
6,6,9-Trimethyl-3-(3-methyl-2-octanyl)-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 4-(1-azepanyl)butanoate [ACD/IUPAC Name]
6,6,9-Trimethyl-3-(3-methyl-2-octanyl)-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl-4-(1-azepanyl)butanoat [German] [ACD/IUPAC Name]
Nabazenilum
UNII:N1RX70K36C
3-(11-Dimethylheptyl)-7,8,9,10-tetrahydro-6,6,9-trimethyl-6H-dibenzo(b,d)pyran-1-yl 4-(1-azepanyl)butyrat

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

SP 175 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 624.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.2±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 161.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 11.72
ACD/LogD (pH 5.5): 7.67
ACD/BCF (pH 5.5): 73501.20
ACD/KOC (pH 5.5): 14409.36
ACD/LogD (pH 7.4): 8.66
ACD/BCF (pH 7.4): 720664.69
ACD/KOC (pH 7.4): 141280.92
Polar Surface Area: 39 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 514.2±5.0 cm3

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