ChemSpider 2D Image | 1-{2-[(2S)-2-(1H-1,2,4-Triazol-5-yl)-1-pyrrolidinyl]ethyl}-1H-tetrazole | C9H14N8

1-{2-[(2S)-2-(1H-1,2,4-Triazol-5-yl)-1-pyrrolidinyl]ethyl}-1H-tetrazole

  • Molecular FormulaC9H14N8
  • Average mass234.261 Da
  • Monoisotopic mass234.134140 Da
  • ChemSpider ID114972577

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{2-[(2S)-2-(1H-1,2,4-Triazol-5-yl)-1-pyrrolidinyl]ethyl}-1H-tetrazol [German] [ACD/IUPAC Name]
1-{2-[(2S)-2-(1H-1,2,4-Triazol-5-yl)-1-pyrrolidinyl]ethyl}-1H-tetrazole [ACD/IUPAC Name]
1-{2-[(2S)-2-(1H-1,2,4-Triazol-5-yl)-1-pyrrolidinyl]éthyl}-1H-tétrazole [French] [ACD/IUPAC Name]
1H-Tetrazole, 1-[2-[(2S)-2-(1H-1,2,4-triazol-5-yl)-1-pyrrolidinyl]ethyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 501.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.2±32.9 °C
Index of Refraction: 1.836
Molar Refractivity: 62.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.95
ACD/LogD (pH 5.5): -2.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.51
Polar Surface Area: 88 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 80.0±7.0 dyne/cm
Molar Volume: 141.9±7.0 cm3

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