ChemSpider 2D Image | 2-(4-Chloro-1H-pyrazol-1-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine | C12H17ClN4OS

2-(4-Chloro-1H-pyrazol-1-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

  • Molecular FormulaC12H17ClN4OS
  • Average mass300.808 Da
  • Monoisotopic mass300.081146 Da
  • ChemSpider ID35067527

More details:

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

2-(4-Chlor-1H-pyrazol-1-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)ethanamin [German] [ACD/IUPAC Name]
2-(4-Chloro-1H-pyrazol-1-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine [ACD/IUPAC Name]
2-(4-Chloro-1H-pyrazol-1-yl)-N-(2-méthoxyéthyl)-N-(1,3-thiazol-2-ylméthyl)éthanamine [French] [ACD/IUPAC Name]
2-Thiazolemethanamine, N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-N-(2-methoxyethyl)- [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: 421.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 208.6±27.3 °C
Index of Refraction: 1.619
Molar Refractivity: 80.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 27.85
ACD/KOC (pH 5.5): 348.48
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.42
ACD/KOC (pH 7.4): 455.71
Polar Surface Area: 71 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 229.3±7.0 cm3

Click to predict properties on the Chemicalize site


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