ChemSpider 2D Image | (9S)-6,6,9-Trimethyl-3-[(2S)-2-nonanyl]-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 4-(diethylamino)butanoate | C33H53NO3

(9S)-6,6,9-Trimethyl-3-[(2S)-2-nonanyl]-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 4-(diethylamino)butanoate

  • Molecular FormulaC33H53NO3
  • Average mass511.779 Da
  • Monoisotopic mass511.402557 Da
  • ChemSpider ID34992499

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9S)-6,6,9-Trimethyl-3-[(2S)-2-nonanyl]-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 4-(diethylamino)butanoate [ACD/IUPAC Name]
(9S)-6,6,9-Trimethyl-3-[(2S)-2-nonanyl]-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl-4-(diethylamino)butanoat [German] [ACD/IUPAC Name]
4-(Diéthylamino)butanoate de (9S)-6,6,9-triméthyl-3-[(2S)-2-nonanyl]-7,8,9,10-tétrahydro-6H-benzo[c]chromén-1-yle [French] [ACD/IUPAC Name]
Butanoic acid, 4-(diethylamino)-, (9S)-7,8,9,10-tetrahydro-6,6,9-trimethyl-3-[(1S)-1-methyloctyl]-6H-dibenzo[b,d]pyran-1-yl ester [ACD/Index Name]
74912-19-9 [RN]
Naboctate [Wiki]
UNII-N6YFU80HRG

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

Density: 1.0±0.1 g/cm3
Boiling Point: 590.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.6±30.1 °C
Index of Refraction: 1.530
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 11.14
ACD/LogD (pH 5.5): 7.39
ACD/BCF (pH 5.5): 44298.84
ACD/KOC (pH 5.5): 9763.81
ACD/LogD (pH 7.4): 7.87
ACD/BCF (pH 7.4): 133111.50
ACD/KOC (pH 7.4): 29338.81
Polar Surface Area: 39 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 500.3±5.0 cm3

Click to predict properties on the Chemicalize site


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