ChemSpider 2D Image | 1-(5-Chloro-1-methyl-1H-imidazol-2-yl)-N-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine | C9H13ClN6

1-(5-Chloro-1-methyl-1H-imidazol-2-yl)-N-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine

  • Molecular FormulaC9H13ClN6
  • Average mass240.693 Da
  • Monoisotopic mass240.089020 Da
  • ChemSpider ID56806989

More details:

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

1-(5-Chlor-1-methyl-1H-imidazol-2-yl)-N-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamin [German] [ACD/IUPAC Name]
1-(5-Chloro-1-methyl-1H-imidazol-2-yl)-N-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine [ACD/IUPAC Name]
1-(5-Chloro-1-méthyl-1H-imidazol-2-yl)-N-[(1-méthyl-1H-1,2,4-triazol-3-yl)méthyl]méthanamine [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-methanamine, N-[(5-chloro-1-methyl-1H-imidazol-2-yl)methyl]-1-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 468.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.3±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 63.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.31
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.45
Polar Surface Area: 61 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 168.5±7.0 cm3

Click to predict properties on the Chemicalize site


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