ChemSpider 2D Image | 4-{[Butyl(methyl)amino]methyl}-1,3-thiazol-2-amine | C9H17N3S

4-{[Butyl(methyl)amino]methyl}-1,3-thiazol-2-amine

  • Molecular FormulaC9H17N3S
  • Average mass199.316 Da
  • Monoisotopic mass199.114319 Da
  • ChemSpider ID38073085

More details:






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

4-{[Butyl(methyl)amino]methyl}-1,3-thiazol-2-amin [German] [ACD/IUPAC Name]
4-{[Butyl(methyl)amino]methyl}-1,3-thiazol-2-amine [ACD/IUPAC Name]
4-{[Butyl(méthyl)amino]méthyl}-1,3-thiazol-2-amine [French] [ACD/IUPAC Name]
4-Thiazolemethanamine, 2-amino-N-butyl-N-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 301.5±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.2±3.0 kJ/mol
Flash Point: 136.1±20.9 °C
Index of Refraction: 1.565
Molar Refractivity: 58.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.67
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 6.09
ACD/KOC (pH 7.4): 103.31
Polar Surface Area: 70 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 180.5±3.0 cm3

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