ChemSpider 2D Image | 1-(5-Chloro-2-thienyl)-N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N-methylmethanamine | C12H17ClN4OS

1-(5-Chloro-2-thienyl)-N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N-methylmethanamine

  • Molecular FormulaC12H17ClN4OS
  • Average mass300.808 Da
  • Monoisotopic mass300.081146 Da
  • ChemSpider ID59707843

More details:

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

1-(5-Chlor-2-thienyl)-N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N-methylmethanamin [German] [ACD/IUPAC Name]
1-(5-Chloro-2-thienyl)-N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N-methylmethanamine [ACD/IUPAC Name]
1-(5-Chloro-2-thiényl)-N-{[4-(2-méthoxyéthyl)-4H-1,2,4-triazol-3-yl]méthyl}-N-méthylméthanamine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-methanamine, N-[(5-chloro-2-thienyl)methyl]-4-(2-methoxyethyl)-N-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 419.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 207.7±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 80.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 11.81
ACD/KOC (pH 5.5): 167.83
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 23.07
ACD/KOC (pH 7.4): 327.95
Polar Surface Area: 71 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 228.4±7.0 cm3

Click to predict properties on the Chemicalize site


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