ChemSpider 2D Image | 5-[9-Anthryl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile | C31H34N2O2

5-[9-Anthryl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile

  • Molecular FormulaC31H34N2O2
  • Average mass466.614 Da
  • Monoisotopic mass466.262024 Da
  • ChemSpider ID23281532

More details:

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

5-[9-Anthryl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile [ACD/IUPAC Name]
5-[9-Anthryl(méthyl)amino]-2-(3,4-diméthoxyphényl)-2-isopropylpentanenitrile [French] [ACD/IUPAC Name]
5-[9-Anthryl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropylpentannitril [German] [ACD/IUPAC Name]
5-[anthracen-9-yl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-(propan-2-yl)pentanenitrile
Benzeneacetonitrile, α-[3-(9-anthracenylmethylamino)propyl]-3,4-dimethoxy-α-(1-methylethyl)- [ACD/Index Name]
5-(anthracen-10-yl(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile
MM-36

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

Density: 1.1±0.1 g/cm3
Boiling Point: 625.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.3±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 146.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.58
ACD/LogD (pH 5.5): 7.16
ACD/BCF (pH 5.5): 145535.08
ACD/KOC (pH 5.5): 150006.23
ACD/LogD (pH 7.4): 7.38
ACD/BCF (pH 7.4): 236877.41
ACD/KOC (pH 7.4): 244154.80
Polar Surface Area: 45 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 414.5±3.0 cm3

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