ChemSpider 2D Image | N-(3-Chlorobenzyl)-3-methyl-1H-1,2,4-triazol-5-amine | C10H11ClN4

N-(3-Chlorobenzyl)-3-methyl-1H-1,2,4-triazol-5-amine

  • Molecular FormulaC10H11ClN4
  • Average mass222.674 Da
  • Monoisotopic mass222.067230 Da
  • ChemSpider ID21795756

More details:






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

1H-1,2,4-Triazol-5-amine, N-[(3-chlorophenyl)methyl]-3-methyl- [ACD/Index Name]
N-(3-Chlorbenzyl)-3-methyl-1H-1,2,4-triazol-5-amin [German] [ACD/IUPAC Name]
N-(3-Chlorobenzyl)-3-methyl-1H-1,2,4-triazol-5-amine [ACD/IUPAC Name]
N-(3-Chlorobenzyl)-3-méthyl-1H-1,2,4-triazol-5-amine [French] [ACD/IUPAC Name]
(3-Chloro-benzyl)-(5-methyl-2H-[1,2,4]triazol-3-yl)-amine
1179482-31-5 [RN]
N-[(3-chlorophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 427.9±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 212.6±29.3 °C
Index of Refraction: 1.669
Molar Refractivity: 60.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 48.20
ACD/KOC (pH 5.5): 544.12
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.47
ACD/KOC (pH 7.4): 592.31
Polar Surface Area: 54 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 162.6±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement