ChemSpider 2D Image | 4-(3,4-Dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(isothiocyanatomethyl)-N,5-dimethyl-1-hexanamine | C28H40N2O4S

4-(3,4-Dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(isothiocyanatomethyl)-N,5-dimethyl-1-hexanamine

  • Molecular FormulaC28H40N2O4S
  • Average mass500.693 Da
  • Monoisotopic mass500.270874 Da
  • ChemSpider ID110969

More details:

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

4-(3,4-Dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(isothiocyanatomethyl)-N,5-dimethyl-1-hexanamin [German] [ACD/IUPAC Name]
4-(3,4-Dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(isothiocyanatomethyl)-N,5-dimethyl-1-hexanamine [ACD/IUPAC Name]
4-(3,4-Diméthoxyphényl)-N-[2-(3,4-diméthoxyphényl)éthyl]-4-(isothiocyanatométhyl)-N,5-diméthyl-1-hexanamine [French] [ACD/IUPAC Name]
4-(3,4-Dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(isothiocyanatomethyl)-N,5-dimethylhexan-1-amine
Benzenebutanamine, N-[2-(3,4-dimethoxyphenyl)ethyl]-δ-(isothiocyanatomethyl)-3,4-dimethoxy-N-methyl-δ-(1-methylethyl)- [ACD/Index Name]
102852-53-9 [RN]
5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate
DMPIT

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

Density: 1.1±0.1 g/cm3
Boiling Point: 614.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.3±31.5 °C
Index of Refraction: 1.525
Molar Refractivity: 145.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 24.45
ACD/KOC (pH 5.5): 47.95
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 389.01
ACD/KOC (pH 7.4): 762.81
Polar Surface Area: 85 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 34.0±7.0 dyne/cm
Molar Volume: 475.3±7.0 cm3

Click to predict properties on the Chemicalize site


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