ChemSpider 2D Image | Benzonatate | C30H53NO11

Benzonatate

  • Molecular FormulaC30H53NO11
  • Average mass603.742 Da
  • Monoisotopic mass603.361877 Da
  • ChemSpider ID7413

More details:



Featured data source



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

2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl 4-(butylamino)benzoate [ACD/IUPAC Name]
2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl-4-(butylamino)benzoat [German] [ACD/IUPAC Name]
203-194-7 [EINECS]
3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl 4-(butylamino)benzoate
4-(Butylamino)benzoate de 2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yle [French] [ACD/IUPAC Name]
4-(Butylamino)benzoic Acid 3,6,9,12,15,18,21,24,27-Nonaoxaoctacos-1-yl Ester
Benzoic acid, 4-(butylamino)-, 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester [ACD/Index Name]
Benzoic acid, 4-(butylamino)-, 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester (9CI)
Benzonatato [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

KM 65 [DBID]
D00242 [DBID]
NCGC00016362-01 [DBID]
Prestwick0_000012 [DBID]
Prestwick1_000012 [DBID]
SPBio_001964 [DBID]
  • Miscellaneous
    • Safety:

      R05DB01 Wikidata Q2070778
    • Chemical Class:

      The ester obtained by formal condensation of 4-butylaminobenzoic acid with nonaethylene glycol monomethyl ether. Structurally related to procaine and benzocaine, it has an anaesthetic effect on the st retch sensors in the lungs, and is used as a non-narcotic cough suppressant. ChEBI CHEBI:3032
  • Gas Chromatography

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

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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