ChemSpider 2D Image | 3-Isopropyl-1-methyl-1H-1,2,4-triazol-5-amine | C6H12N4

3-Isopropyl-1-methyl-1H-1,2,4-triazol-5-amine

  • Molecular FormulaC6H12N4
  • Average mass140.186 Da
  • Monoisotopic mass140.106201 Da
  • ChemSpider ID25991757

More details:

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

1H-1,2,4-Triazol-5-amine, 1-methyl-3-(1-methylethyl)- [ACD/Index Name]
3-Isopropyl-1-methyl-1H-1,2,4-triazol-5-amin [German] [ACD/IUPAC Name]
3-Isopropyl-1-methyl-1H-1,2,4-triazol-5-amine [ACD/IUPAC Name]
3-Isopropyl-1-méthyl-1H-1,2,4-triazol-5-amine [French] [ACD/IUPAC Name]
1269152-62-6 [RN]
1-methyl-3-(propan-2-yl)-1H-1,2,4-triazol-5-amine
MFCD16858925 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 302.1±25.0 °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: 136.5±23.2 °C
Index of Refraction: 1.596
Molar Refractivity: 39.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.01
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 39.47
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.53
ACD/KOC (pH 7.4): 47.12
Polar Surface Area: 57 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 40.4±7.0 dyne/cm
Molar Volume: 114.8±7.0 cm3

Click to predict properties on the Chemicalize site


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