ChemSpider 2D Image | 1-[(1-Benzyl-1H-tetrazol-5-yl)methyl]piperazine | C13H18N6

1-[(1-Benzyl-1H-tetrazol-5-yl)methyl]piperazine

  • Molecular FormulaC13H18N6
  • Average mass258.322 Da
  • Monoisotopic mass258.159302 Da
  • ChemSpider ID30994887

More details:






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

1-[(1-Benzyl-1H-tetrazol-5-yl)methyl]piperazin [German] [ACD/IUPAC Name]
1-[(1-Benzyl-1H-tetrazol-5-yl)methyl]piperazine [ACD/IUPAC Name]
1-[(1-Benzyl-1H-tétrazol-5-yl)méthyl]pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[[1-(phenylmethyl)-1H-tetrazol-5-yl]methyl]- [ACD/Index Name]
1-[(1-benzyl-1H-1,2,3,4-tetrazol-5-yl)methyl]piperazine
1097786-23-6 [RN]
MFCD12543291

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

Density: 1.3±0.1 g/cm3
Boiling Point: 493.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 252.1±27.3 °C
Index of Refraction: 1.687
Molar Refractivity: 74.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -2.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.48
Polar Surface Area: 59 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 196.8±7.0 cm3

Click to predict properties on the Chemicalize site






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