ChemSpider 2D Image | 3-Ethynyl(~2~H_4_)aniline | C8H3D4N

3-Ethynyl(2H4)aniline

  • Molecular FormulaC8H3D4N
  • Average mass121.173 Da
  • Monoisotopic mass121.082954 Da
  • ChemSpider ID48060828

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Ethinyl(2H4)anilin [German] [ACD/IUPAC Name]
3-Ethynyl(2H4)aniline [ACD/IUPAC Name]
3-Éthynyl(2H4)aniline [French] [ACD/IUPAC Name]
Benzen-2,3,4,6-d4-amine, 5-ethynyl- [ACD/Index Name]
1794883-73-0 [RN]
2,3,4,6-tetradeuterio-5-ethynylaniline
74-86-2 [RN]
Acetylene [ACD/IUPAC Name] [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 240.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.7±3.0 kJ/mol
Flash Point: 111.0±17.9 °C
Index of Refraction: 1.590
Molar Refractivity: 37.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.22
ACD/KOC (pH 5.5): 113.07
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.29
ACD/KOC (pH 7.4): 114.69
Polar Surface Area: 26 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 111.0±5.0 cm3

Click to predict properties on the Chemicalize site


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