ChemSpider 2D Image | 7-(2-Ethylbutyl)-3-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine | C20H30N4

7-(2-Ethylbutyl)-3-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine

  • Molecular FormulaC20H30N4
  • Average mass326.479 Da
  • Monoisotopic mass326.247040 Da
  • ChemSpider ID22212602

More details:

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

5H-1,2,4-Triazolo[4,3-d][1,4]diazepine, 7-(2-ethylbutyl)-6,7,8,9-tetrahydro-3-(2-phenylethyl)- [ACD/Index Name]
7-(2-Ethylbutyl)-3-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin [German] [ACD/IUPAC Name]
7-(2-Ethylbutyl)-3-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine [ACD/IUPAC Name]
7-(2-Éthylbutyl)-3-(2-phényléthyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 498.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 255.1±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 100.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 12.71
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 90.77
ACD/KOC (pH 7.4): 622.74
Polar Surface Area: 34 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 41.0±7.0 dyne/cm
Molar Volume: 298.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement