ChemSpider 2D Image | 1-(3,5-Dimethylphenyl)-6-isopropylisoquinoline | C20H21N

1-(3,5-Dimethylphenyl)-6-isopropylisoquinoline

  • Molecular FormulaC20H21N
  • Average mass275.387 Da
  • Monoisotopic mass275.167389 Da
  • ChemSpider ID81424730

More details:

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

1-(3,5-dimethylphenyl)-6-(propan-2-yl)isoquinoline
1-(3,5-Dimethylphenyl)-6-isopropylisochinolin [German] [ACD/IUPAC Name]
1-(3,5-Diméthylphényl)-6-isopropylisoquinoléine [French] [ACD/IUPAC Name]
1-(3,5-Dimethylphenyl)-6-isopropylisoquinoline [ACD/IUPAC Name]
1936437-58-9 [RN]
Isoquinoline, 1-(3,5-dimethylphenyl)-6-(1-methylethyl)- [ACD/Index Name]
1-(3,5-dimethylphenyl)-6-(1-methylethyl)isoquinoline
MFCD32067793
PI-46567

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

Density: 1.0±0.1 g/cm3
Boiling Point: 394.6±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 168.5±12.0 °C
Index of Refraction: 1.601
Molar Refractivity: 90.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 10344.00
ACD/KOC (pH 5.5): 23360.60
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 15028.14
ACD/KOC (pH 7.4): 33939.13
Polar Surface Area: 13 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 264.7±3.0 cm3

Click to predict properties on the Chemicalize site


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