ChemSpider 2D Image | (4R)-4-(3,4-Dichlorophenyl)-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline | C17H17Cl2NO

(4R)-4-(3,4-Dichlorophenyl)-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC17H17Cl2NO
  • Average mass322.229 Da
  • Monoisotopic mass321.068726 Da
  • ChemSpider ID32789679

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-4-(3,4-Dichlorophényl)-7-méthoxy-2-méthyl-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
(4R)-4-(3,4-Dichlorophenyl)-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
(4R)-4-(3,4-Dichlorphenyl)-7-methoxy-2-methyl-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
50560-45-7 [RN]
Isoquinoline, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-7-methoxy-2-methyl-, (4R)- [ACD/Index Name]
(4R)-4-(3,4-dichlorophenyl)-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
67165-56-4 [RN]
Diclofensine [INN] [Wiki]
PDSP1_001613
PDSP2_001597
More...

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

LKZ81ZC6TN [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 422.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 209.4±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 87.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 19.39
ACD/KOC (pH 5.5): 64.77
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 974.91
ACD/KOC (pH 7.4): 3257.20
Polar Surface Area: 12 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 259.4±3.0 cm3

Click to predict properties on the Chemicalize site


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