ChemSpider 2D Image | 1-(2,2-Diallyl-1-pyrrolidinyl)-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)ethanone | C18H30N6O

1-(2,2-Diallyl-1-pyrrolidinyl)-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)ethanone

  • Molecular FormulaC18H30N6O
  • Average mass346.470 Da
  • Monoisotopic mass346.248108 Da
  • ChemSpider ID22170385

More details:

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

1-(2,2-Diallyl-1-pyrrolidinyl)-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)ethanon [German] [ACD/IUPAC Name]
1-(2,2-Diallyl-1-pyrrolidinyl)-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)ethanone [ACD/IUPAC Name]
1-(2,2-Diallyl-1-pyrrolidinyl)-2-(5-{[isopropyl(méthyl)amino]méthyl}-1H-tétrazol-1-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(2,2-di-2-propen-1-yl-1-pyrrolidinyl)-2-[5-[[methyl(1-methylethyl)amino]methyl]-1H-tetrazol-1-yl]- [ACD/Index Name]
({1-[2-(2,2-diallyl-1-pyrrolidinyl)-2-oxoethyl]-1H-tetrazol-5-yl}methyl)isopropyl(methyl)amine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 512.0±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.5±28.2 °C
Index of Refraction: 1.571
Molar Refractivity: 101.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.34
ACD/KOC (pH 5.5): 19.76
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 17.44
ACD/KOC (pH 7.4): 256.81
Polar Surface Area: 67 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 310.1±7.0 cm3

Click to predict properties on the Chemicalize site


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