ChemSpider 2D Image | 4-[(4,4-Dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]-N,N-diethylaniline | C22H25N3S2

4-[(4,4-Dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]-N,N-diethylaniline

  • Molecular FormulaC22H25N3S2
  • Average mass395.584 Da
  • Monoisotopic mass395.148987 Da
  • ChemSpider ID26513315

More details:

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

1,4-Benzenediamine, N4-(4,5-dihydro-4,4-dimethyl-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)-N1,N1-diethyl- [ACD/Index Name]
4-[(4,4-Dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]chinolin-1-yliden)amino]-N,N-diethylanilin [German] [ACD/IUPAC Name]
4-[(4,4-Diméthyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoléin-1-ylidène)amino]-N,N-diéthylaniline [French] [ACD/IUPAC Name]
4-[(4,4-Dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]-N,N-diethylaniline [ACD/IUPAC Name]
N-[4-(diethylamino)phenyl]-N-(4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 592.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 312.0±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 119.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 9951.83
ACD/KOC (pH 5.5): 10770.80
ACD/LogD (pH 7.4): 7.18
ACD/BCF (pH 7.4): 159947.91
ACD/KOC (pH 7.4): 173110.61
Polar Surface Area: 78 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 323.7±7.0 cm3

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