ChemSpider 2D Image | (2S)-2-(3-Methoxyphenyl)-2-(3-{[2-(3-methoxyphenyl)ethyl](methyl)amino}propyl)tetradecanenitrile | C34H52N2O2

(2S)-2-(3-Methoxyphenyl)-2-(3-{[2-(3-methoxyphenyl)ethyl](methyl)amino}propyl)tetradecanenitrile

  • Molecular FormulaC34H52N2O2
  • Average mass520.789 Da
  • Monoisotopic mass520.402893 Da
  • ChemSpider ID34988986

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(3-Methoxyphenyl)-2-(3-{[2-(3-methoxyphenyl)ethyl](methyl)amino}propyl)tetradecanenitrile [ACD/IUPAC Name]
(2S)-2-(3-Méthoxyphényl)-2-(3-{[2-(3-méthoxyphényl)éthyl](méthyl)amino}propyl)tétradécanenitrile [French] [ACD/IUPAC Name]
(2S)-2-(3-Methoxyphenyl)-2-(3-{[2-(3-methoxyphenyl)ethyl](methyl)amino}propyl)tetradecannitril [German] [ACD/IUPAC Name]
Benzeneacetonitrile, α-dodecyl-3-methoxy-α-[3-[[2-(3-methoxyphenyl)ethyl]methylamino]propyl]-, (αS)- [ACD/Index Name]
280-213-5 [EINECS]
83200-10-6 [RN]
anipamil [INN]
UNII-9Y54WZV1CJ

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

Density: 1.0±0.1 g/cm3
Boiling Point: 641.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 342.0±31.5 °C
Index of Refraction: 1.517
Molar Refractivity: 160.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 9.22
ACD/LogD (pH 5.5): 6.98
ACD/BCF (pH 5.5): 22898.02
ACD/KOC (pH 5.5): 6530.85
ACD/LogD (pH 7.4): 8.27
ACD/BCF (pH 7.4): 443587.53
ACD/KOC (pH 7.4): 126517.59
Polar Surface Area: 45 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 529.6±3.0 cm3

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