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Search term: CC(C)(C)C#Cc1ccccc1-c1ccc2nc(N)ccc2c1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 6-[2-(3,3-Dimethyl-1-butyn-1-yl)phenyl]-2-quinolinamine | C21H20N2

6-[2-(3,3-Dimethyl-1-butyn-1-yl)phenyl]-2-quinolinamine

  • Molecular FormulaC21H20N2
  • Average mass300.397 Da
  • Monoisotopic mass300.162659 Da
  • ChemSpider ID26328818

More details:

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

2-Quinolinamine, 6-[2-(3,3-dimethyl-1-butyn-1-yl)phenyl]- [ACD/Index Name]
6-[2-(3,3-Dimethyl-1-butin-1-yl)phenyl]-2-chinolinamin [German] [ACD/IUPAC Name]
6-[2-(3,3-Diméthyl-1-butyn-1-yl)phényl]-2-quinoléinamine [French] [ACD/IUPAC Name]
6-[2-(3,3-Dimethyl-1-butyn-1-yl)phenyl]-2-quinolinamine [ACD/IUPAC Name]
6-[2-(3,3-Dimethylbut-1-Yn-1-Yl)phenyl]quinolin-2-Amine
1321991-89-2 [RN]
6-(2-(3,3-dimethylbut-1-ynyl)phenyl)quinolin-2-amine
RTH

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

Density: 1.1±0.1 g/cm3
Boiling Point: 491.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 282.8±14.5 °C
Index of Refraction: 1.658
Molar Refractivity: 96.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 1378.63
ACD/KOC (pH 5.5): 3481.90
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9423.51
ACD/KOC (pH 7.4): 23800.31
Polar Surface Area: 39 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 261.3±5.0 cm3

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