ChemSpider 2D Image | (+/-)-EPINEPHRINE-D6 | C9H7D6NO3

(±)-EPINEPHRINE-D6

  • Molecular FormulaC9H7D6NO3
  • Average mass189.241 Da
  • Monoisotopic mass189.127197 Da
  • ChemSpider ID24533154

  • Non-standard isotope - Non-standard isotope

More details:

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

(±)-EPINEPHRINE-D6
1,2-Benzene-3,4,6-d3-diol, 5-[1-hydroxy-2-(methylamino)ethyl-1,2,2-d3]- [ACD/Index Name]
4-[1-Hydroxy-2-(methylamino)(2H3)ethyl](2H3)benzene-1,2-diol
4-[1-Hydroxy-2-(methylamino)(2H3)ethyl]-1,2-(2H3)benzenediol [ACD/IUPAC Name]
4-[1-Hydroxy-2-(méthylamino)(2H3)éthyl]-1,2-(2H3)benzènediol [French] [ACD/IUPAC Name]
4-[1-Hydroxy-2-(methylamino)(2H3)ethyl]-1,2-(2H3)benzoldiol [German] [ACD/IUPAC Name]
(?)-Adrenaline, (?)-3,4-Dihydroxy-a-(methylaminomethyl)benzyl Alcohol
(?)-Epinephrine-2,5,6,α,β,β-d6
(±)-Epinephrine-2,5,6,α,β,β-d6
(±)-Epinephrine-D6missing
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 413.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 207.9±17.9 °C
Index of Refraction: 1.608
Molar Refractivity: 49.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -3.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 142.7±3.0 cm3

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