ChemSpider 2D Image | 2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl 4-[(~2~H_9_)butylamino]benzoate | C30H44D9NO11

2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl 4-[(2H9)butylamino]benzoate

  • Molecular FormulaC30H44D9NO11
  • Average mass612.797 Da
  • Monoisotopic mass612.418335 Da
  • ChemSpider ID28557241

  • Non-standard isotope - Non-standard isotope

More details:

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

2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl 4-[(2H9)butylamino]benzoate [ACD/IUPAC Name]
2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl-4-[(2H9)butylamino]benzoat [German] [ACD/IUPAC Name]
4-[(2H9)Butylamino]benzoate de 2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(butyl-d9-amino)-, 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester [ACD/Index Name]
104-31-4 [RN]
Benzonatate Labeled d9
BENZONATATE-D9
MFCD00072060

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

Density: 1.1±0.1 g/cm3
Boiling Point: 649.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.3±31.5 °C
Index of Refraction: 1.495
Molar Refractivity: 160.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.06
ACD/KOC (pH 5.5): 141.01
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.07
ACD/KOC (pH 7.4): 141.09
Polar Surface Area: 121 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 550.7±3.0 cm3

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