ChemSpider 2D Image | Naboctate | C33H53NO3

Naboctate

  • Molecular FormulaC33H53NO3
  • Average mass511.779 Da
  • Monoisotopic mass511.402557 Da
  • ChemSpider ID151528

More details:

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

(6,6,9-trimethyl-3-nonan-2-yl-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) 4-(diethylamino)butanoate
5-(Diéthylamino)pentanoate de 6,6-diméthyl-3-(2-nonanyl)-7,8,9,10-tétrahydro-6H-benzo[c]chromén-1-yle [French] [ACD/IUPAC Name]
6,6-Dimethyl-3-(2-nonanyl)-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 5-(diethylamino)pentanoate [ACD/IUPAC Name]
6,6-Dimethyl-3-(2-nonanyl)-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl-5-(diethylamino)pentanoat [German] [ACD/IUPAC Name]
74912-19-9 [RN]
Naboctate [Wiki]
Pentanoic acid, 5-(diethylamino)-, 7,8,9,10-tetrahydro-6,6-dimethyl-3-(1-methyloctyl)-6H-dibenzo[b,d]pyran-1-yl ester [ACD/Index Name]
SP-325
7,8,9,10-Tetrahydro-6,6,9-trimethyl-3-(1-methoctyl)-6H-dibenzo(b,d)pyran-1-yl-4-(diethylamino)butyrate
Naboctato
More...

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

SP 325 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 595.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.2±30.1 °C
Index of Refraction: 1.531
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 10.95
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 37826.23
ACD/KOC (pH 5.5): 8692.82
ACD/LogD (pH 7.4): 7.64
ACD/BCF (pH 7.4): 81808.95
ACD/KOC (pH 7.4): 18800.44
Polar Surface Area: 39 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 499.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement