ChemSpider 2D Image | PARA-NAPHTHOL DULOXETINE | C18H19NOS

PARA-NAPHTHOL DULOXETINE

  • Molecular FormulaC18H19NOS
  • Average mass297.415 Da
  • Monoisotopic mass297.118744 Da
  • ChemSpider ID22234831

More details:

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

1-Naphthalenol, 4-[3-(methylamino)-1-(2-thienyl)propyl]- [ACD/Index Name]
4-(3-Methylamino-1-thiophen-2-yl-propyl)-naphthalen-1-ol
4-[3-(Methylamino)-1-(2-thienyl)propyl]-1-naphthalenol
4-[3-(Methylamino)-1-(2-thienyl)propyl]-1-naphthol [ACD/IUPAC Name]
4-[3-(Methylamino)-1-(2-thienyl)propyl]-1-naphthol [German] [ACD/IUPAC Name]
4-[3-(Méthylamino)-1-(2-thiényl)propyl]-1-naphtol [French] [ACD/IUPAC Name]
949095-98-1 [RN]
PARA-NAPHTHOL DULOXETINE
(RS)-4-(3-Methylamino-1-thiophen-2-yl-propyl)-naphthalen-1-ol
??????RS)-4-(3-Methylamino-1-thiophen-2-yl-propyl)-naphthalen-1-ol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

OX55AL7074 [DBID]
UNII:OX55AL7074 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Others MedChem Express HY-G0005
      Para-Naphthol Duloxetine is a metabolite of Duloxetine, which is a serotonin-norepinephrine reuptake inhibitor (SNRI). MedChem Express HY-G0005

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

Density: 1.2±0.1 g/cm3
Boiling Point: 497.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 254.5±28.7 °C
Index of Refraction: 1.650
Molar Refractivity: 91.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.40
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 6.57
Polar Surface Area: 61 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 249.9±3.0 cm3

Click to predict properties on the Chemicalize site


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