ChemSpider 2D Image | 2-(3,4,5-trimethylpyrazol-1-yl)acetonitrile | C8H11N3

2-(3,4,5-trimethylpyrazol-1-yl)acetonitrile

  • Molecular FormulaC8H11N3
  • Average mass149.193 Da
  • Monoisotopic mass149.095291 Da
  • ChemSpider ID21800432

More details:

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

(3,4,5-Trimethyl-1H-pyrazol-1-yl)acetonitril [German] [ACD/IUPAC Name]
(3,4,5-Trimethyl-1H-pyrazol-1-yl)acetonitrile [ACD/IUPAC Name]
(3,4,5-Triméthyl-1H-pyrazol-1-yl)acétonitrile [French] [ACD/IUPAC Name]
1170293-23-8 [RN]
1H-Pyrazole-1-acetonitrile, 3,4,5-trimethyl- [ACD/Index Name]
2-(3,4,5-Trimethyl-1H-pyrazol-1-yl)acetonitrile
2-(3,4,5-trimethylpyrazol-1-yl)acetonitrile
[1170293-23-8] [RN]
2-(3,4,5-trimethylpyrazolyl)ethanenitrile

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

MFCD12026945 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 281.5±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.0±3.0 kJ/mol
Flash Point: 124.1±24.0 °C
Index of Refraction: 1.548
Molar Refractivity: 45.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.27
ACD/KOC (pH 5.5): 129.51
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.28
ACD/KOC (pH 7.4): 129.72
Polar Surface Area: 42 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 35.3±7.0 dyne/cm
Molar Volume: 142.4±7.0 cm3

Click to predict properties on the Chemicalize site


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