ChemSpider 2D Image | Etripamil | C27H36N2O4

Etripamil

  • Molecular FormulaC27H36N2O4
  • Average mass452.586 Da
  • Monoisotopic mass452.267517 Da
  • ChemSpider ID44208826

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(-)-MSP-2017
1593673-23-4 [RN]
3-(2-{[(4S)-4-Cyano-4-(3,4-diméthoxyphényl)-5-méthylhexyl](méthyl)amino}éthyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[2-[[(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]methylamino]ethyl]-, methyl ester [ACD/Index Name]
Etripamil [INN] [USAN]
étripamil [French] [INN]
etripamilo [Spanish] [INN]
etripamilum [Latin] [INN]
methyl 3-(2-{[(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-4-(propan-2-yl)butyl](methyl)amino}ethyl)benzoate
Methyl 3-(2-{[(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl](methyl)amino}ethyl)benzoate [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 593.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.9±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 130.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 1.82
ACD/KOC (pH 5.5): 7.84
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 46.42
ACD/KOC (pH 7.4): 200.26
Polar Surface Area: 72 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 419.3±3.0 cm3

Click to predict properties on the Chemicalize site


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