ChemSpider 2D Image | (+)-emopamil | C23H30N2

(+)-emopamil

  • Molecular FormulaC23H30N2
  • Average mass334.498 Da
  • Monoisotopic mass334.240906 Da
  • ChemSpider ID23256702
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(+)-emopamil
(2R)-2-Isopropyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile [ACD/IUPAC Name]
(2R)-2-Isopropyl-5-[méthyl(2-phényléthyl)amino]-2-phénylpentanenitrile [French] [ACD/IUPAC Name]
(2R)-2-Isopropyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentannitril [German] [ACD/IUPAC Name]
(2R)-5-[methyl(2-phenylethyl)amino]-2-phenyl-2-(propan-2-yl)pentanenitrile
Benzeneacetonitrile, α-(1-methylethyl)-α-[3-[methyl(2-phenylethyl)amino]propyl]-, (αR)- [ACD/Index Name]
(-)-(S)-2-Isopropyl-5-(methylphenethylamino)-2-phenylvaleronitrile
(2S)-2-isopropyl-5-(methyl-(2-phenylethyl)amino)-2-phenylpentanenitrile
(2S)-2-isopropyl-5-(methyl-(2-phenylethyl)amino)-2-phenyl-pentanenitrile
(2S)-2-isopropyl-5-(methyl-(2-phenylethyl)amino)-2-phenyl-valeronitrile
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 485.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 201.1±18.0 °C
Index of Refraction: 1.543
Molar Refractivity: 105.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 3.09
ACD/KOC (pH 5.5): 10.66
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 32.95
ACD/KOC (pH 7.4): 113.64
Polar Surface Area: 27 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 333.4±3.0 cm3

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