ChemSpider 2D Image | 1-{[1-(4-Methylphenyl)-1H-tetrazol-5-yl]methyl}piperazine | C13H18N6

1-{[1-(4-Methylphenyl)-1H-tetrazol-5-yl]methyl}piperazine

  • Molecular FormulaC13H18N6
  • Average mass258.322 Da
  • Monoisotopic mass258.159302 Da
  • ChemSpider ID23376112

More details:






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

1-{[1-(4-Methylphenyl)-1H-tetrazol-5-yl]methyl}piperazin [German] [ACD/IUPAC Name]
1-{[1-(4-Methylphenyl)-1H-tetrazol-5-yl]methyl}piperazine [ACD/IUPAC Name]
1-{[1-(4-Méthylphényl)-1H-tétrazol-5-yl]méthyl}pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[[1-(4-methylphenyl)-1H-tetrazol-5-yl]methyl]- [ACD/Index Name]
1-{[1-(4-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}piperazine
1105194-71-5 [RN]
MFCD11986793

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

Density: 1.3±0.1 g/cm3
Boiling Point: 444.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 222.5±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 74.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.58
Polar Surface Area: 59 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 195.9±7.0 cm3

Click to predict properties on the Chemicalize site






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