ChemSpider 2D Image | 3-(4-Methyl-1-piperazinyl)-2,5,7-triazabicyclo[4.1.0]hepta-1,3-diene | C9H15N5

3-(4-Methyl-1-piperazinyl)-2,5,7-triazabicyclo[4.1.0]hepta-1,3-diene

  • Molecular FormulaC9H15N5
  • Average mass193.249 Da
  • Monoisotopic mass193.132751 Da
  • ChemSpider ID32058712

More details:

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

2,5,7-Triazabicyclo[4.1.0]hepta-1,3-diene, 3-(4-methyl-1-piperazinyl)- [ACD/Index Name]
3-(4-Methyl-1-piperazinyl)-2,5,7-triazabicyclo[4.1.0]hepta-1,3-dien [German] [ACD/IUPAC Name]
3-(4-Methyl-1-piperazinyl)-2,5,7-triazabicyclo[4.1.0]hepta-1,3-diene [ACD/IUPAC Name]
3-(4-Méthyl-1-pipérazinyl)-2,5,7-triazabicyclo[4.1.0]hepta-1,3-diène [French] [ACD/IUPAC Name]
3-(4-Methylpiperazin-1-yl)-2,5,7-triazabicyclo[4.1.0]hepta-1,3-diene
943750-65-0 [RN]
MFCD09909686

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

Density: 1.5±0.1 g/cm3
Boiling Point: 307.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.8±3.0 kJ/mol
Flash Point: 139.6±30.7 °C
Index of Refraction: 1.781
Molar Refractivity: 53.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -4.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 53 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 126.8±7.0 cm3

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