ChemSpider 2D Image | (1S)-6,7-Dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinesulfonamide | C12H18N2O4S

(1S)-6,7-Dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinesulfonamide

  • Molecular FormulaC12H18N2O4S
  • Average mass286.347 Da
  • Monoisotopic mass286.098724 Da
  • ChemSpider ID26326686

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-6,7-Dimethoxy-1-methyl-3,4-dihydro-2(1H)-isochinolinsulfonamid [German] [ACD/IUPAC Name]
(1S)-6,7-Diméthoxy-1-méthyl-3,4-dihydro-2(1H)-isoquinoléinesulfonamide [French] [ACD/IUPAC Name]
(1S)-6,7-Dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinesulfonamide [ACD/IUPAC Name]
(1s)-6,7-Dimethoxy-1-Methyl-3,4-Dihydroisoquinoline-2(1h)-Sulfonamide
2(1H)-Isoquinolinesulfonamide, 3,4-dihydro-6,7-dimethoxy-1-methyl-, (1S)- [ACD/Index Name]
DT9

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

Density: 1.4±0.1 g/cm3
Boiling Point: 452.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 227.3±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 72.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.35
ACD/KOC (pH 5.5): 64.16
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.90
ACD/KOC (pH 7.4): 51.91
Polar Surface Area: 90 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 211.5±5.0 cm3

Click to predict properties on the Chemicalize site


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