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Search term: XMQSNNPHJNAYEO-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-{[(Cyclopropylmethyl)amino]methyl}-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine | C15H13Cl3F3N3S

5-{[(Cyclopropylmethyl)amino]methyl}-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

  • Molecular FormulaC15H13Cl3F3N3S
  • Average mass430.703 Da
  • Monoisotopic mass428.984772 Da
  • ChemSpider ID23245000

More details:

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

5-{[(Cyclopropylmethyl)amino]methyl}-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine [ACD/IUPAC Name]
5-{[(Cyclopropylméthyl)amino]méthyl}-N-(2,4,6-trichlorophényl)-4-(trifluorométhyl)-1,3-thiazol-2-amine [French] [ACD/IUPAC Name]
5-{[(Cyclopropylmethyl)amino]methyl}-N-(2,4,6-trichlorphenyl)-4-(trifluormethyl)-1,3-thiazol-2-amin [German] [ACD/IUPAC Name]
5-Thiazolemethanamine, N-(cyclopropylmethyl)-2-[(2,4,6-trichlorophenyl)amino]-4-(trifluoromethyl)- [ACD/Index Name]
{5-[(Cyclopropylmethyl-amino)-methyl]-4-trifluoromethyl-thiazol-2-yl}-(2,4,6-trichloro-phenyl)-amine
CHEMBL178374

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

Density: 1.5±0.1 g/cm3
Boiling Point: 463.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.9±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 96.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 25.73
ACD/KOC (pH 5.5): 84.64
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1246.42
ACD/KOC (pH 7.4): 4100.57
Polar Surface Area: 65 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 278.4±3.0 cm3

Click to predict properties on the Chemicalize site


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