ChemSpider 2D Image | (1R)-1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-2-(~2~H_3_)methyl-1,2,3,4-tetrahydroisoquinoline | C21H24D3NO4

(1R)-1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-2-(2H3)methyl-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC21H24D3NO4
  • Average mass360.462 Da
  • Monoisotopic mass360.212830 Da
  • ChemSpider ID48062615

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R)-1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-2-(2H3)methyl-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
(1R)-1-(3,4-Diméthoxybenzyl)-6,7-diméthoxy-2-(2H3)méthyl-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
(1R)-1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-2-(2H3)methyl-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-(methyl-d3)-, (1R)- [ACD/Index Name]
1146949-54-3 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 468.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 131.2±25.9 °C
Index of Refraction: 1.551
Molar Refractivity: 102.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.70
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 46.39
ACD/KOC (pH 7.4): 380.26
Polar Surface Area: 40 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 321.6±3.0 cm3

Click to predict properties on the Chemicalize site


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