ChemSpider 2D Image | [2-(Dimethylamino)-1,3-thiazol-4-yl]acetonitrile | C7H9N3S

[2-(Dimethylamino)-1,3-thiazol-4-yl]acetonitrile

  • Molecular FormulaC7H9N3S
  • Average mass167.232 Da
  • Monoisotopic mass167.051712 Da
  • ChemSpider ID21636831

More details:

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

[2-(Dimethylamino)-1,3-thiazol-4-yl]acetonitril [German] [ACD/IUPAC Name]
[2-(Dimethylamino)-1,3-thiazol-4-yl]acetonitrile [ACD/IUPAC Name]
[2-(Diméthylamino)-1,3-thiazol-4-yl]acétonitrile [French] [ACD/IUPAC Name]
2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetonitrile
4-Thiazoleacetonitrile, 2-(dimethylamino)- [ACD/Index Name]
941041-83-4 [RN]
MFCD09403619 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 292.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.2±3.0 kJ/mol
Flash Point: 130.8±25.1 °C
Index of Refraction: 1.598
Molar Refractivity: 46.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.23
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.39
ACD/KOC (pH 5.5): 64.89
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.39
ACD/KOC (pH 7.4): 64.97
Polar Surface Area: 68 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 136.3±3.0 cm3

Click to predict properties on the Chemicalize site


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