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

1-Methyl-5-{[(2S)-2-(1H-1,2,4-triazol-5-yl)-1-pyrrolidinyl]methyl}-1H-tetrazole

  • Molecular FormulaC9H14N8
  • Average mass234.261 Da
  • Monoisotopic mass234.134140 Da
  • ChemSpider ID68163084

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Tetrazole, 1-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)-1-pyrrolidinyl]methyl]- [ACD/Index Name]
1-Methyl-5-{[(2S)-2-(1H-1,2,4-triazol-5-yl)-1-pyrrolidinyl]methyl}-1H-tetrazol [German] [ACD/IUPAC Name]
1-Methyl-5-{[(2S)-2-(1H-1,2,4-triazol-5-yl)-1-pyrrolidinyl]methyl}-1H-tetrazole [ACD/IUPAC Name]
1-Méthyl-5-{[(2S)-2-(1H-1,2,4-triazol-5-yl)-1-pyrrolidinyl]méthyl}-1H-tétrazole [French] [ACD/IUPAC 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: 538.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 279.6±32.9 °C
Index of Refraction: 1.839
Molar Refractivity: 62.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.26
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.84
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.33
Polar Surface Area: 88 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 76.3±7.0 dyne/cm
Molar Volume: 141.0±7.0 cm3

Click to predict properties on the Chemicalize site


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