ChemSpider 2D Image | 4-[({[1-(Aminomethyl)-4-methylcyclohexyl]methyl}amino)methyl]-1,3-thiazol-2(3H)-one | C13H23N3OS

4-[({[1-(Aminomethyl)-4-methylcyclohexyl]methyl}amino)methyl]-1,3-thiazol-2(3H)-one

  • Molecular FormulaC13H23N3OS
  • Average mass269.406 Da
  • Monoisotopic mass269.156189 Da
  • ChemSpider ID72232522

More details:

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

2(3H)-Thiazolone, 4-[[[[1-(aminomethyl)-4-methylcyclohexyl]methyl]amino]methyl]- [ACD/Index Name]
4-[({[1-(Aminomethyl)-4-methylcyclohexyl]methyl}amino)methyl]-1,3-thiazol-2(3H)-on [German] [ACD/IUPAC Name]
4-[({[1-(Aminomethyl)-4-methylcyclohexyl]methyl}amino)methyl]-1,3-thiazol-2(3H)-one [ACD/IUPAC Name]
4-[({[1-(Aminométhyl)-4-méthylcyclohexyl]méthyl}amino)méthyl]-1,3-thiazol-2(3H)-one [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.540
Molar Refractivity: 76.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): -2.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 244.0±3.0 cm3

Click to predict properties on the Chemicalize site


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