ChemSpider 2D Image | 2-(5-{[(1-Cyclopentyl-1H-pyrazol-3-yl)methyl]sulfanyl}-1H-tetrazol-1-yl)-N,N-dimethylethanamine | C14H23N7S

2-(5-{[(1-Cyclopentyl-1H-pyrazol-3-yl)methyl]sulfanyl}-1H-tetrazol-1-yl)-N,N-dimethylethanamine

  • Molecular FormulaC14H23N7S
  • Average mass321.444 Da
  • Monoisotopic mass321.173553 Da
  • ChemSpider ID30413308

More details:






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

1H-Tetrazole-1-ethanamine, 5-[[(1-cyclopentyl-1H-pyrazol-3-yl)methyl]thio]-N,N-dimethyl- [ACD/Index Name]
2-(5-{[(1-Cyclopentyl-1H-pyrazol-3-yl)methyl]sulfanyl}-1H-tetrazol-1-yl)-N,N-dimethylethanamin [German] [ACD/IUPAC Name]
2-(5-{[(1-Cyclopentyl-1H-pyrazol-3-yl)methyl]sulfanyl}-1H-tetrazol-1-yl)-N,N-dimethylethanamine [ACD/IUPAC Name]
2-(5-{[(1-Cyclopentyl-1H-pyrazol-3-yl)méthyl]sulfanyl}-1H-tétrazol-1-yl)-N,N-diméthyléthanamine [French] [ACD/IUPAC Name]
https://mcule.com/MCULE-6246764575

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

Density: 1.4±0.1 g/cm3
Boiling Point: 510.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.3±32.9 °C
Index of Refraction: 1.696
Molar Refractivity: 90.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.79
Polar Surface Area: 90 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 236.5±7.0 cm3

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