ChemSpider 2D Image | MFCD27966808 | C21H18D9NO

MFCD27966808

  • Molecular FormulaC21H18D9NO
  • Average mass318.501 Da
  • Monoisotopic mass318.265747 Da
  • ChemSpider ID32675223
  • Non-standard isotope - Non-standard isotope


More details:






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

(±)-Methadone-D9 solution
200-659-6 [EINECS]
3-Heptanone-1,1,1-d3, 6-(dimethyl-d3-amino)-4,4-diphenyl- [ACD/Index Name]
6-{Bis[(2H3)methyl]amino}-4,4-diphenyl-3-(1,1,1-2H3)heptanon [German] [ACD/IUPAC Name]
6-{Bis[(2H3)methyl]amino}-4,4-diphenyl-3-(1,1,1-2H3)heptanone [ACD/IUPAC Name]
6-{Bis[(2H3)méthyl]amino}-4,4-diphényl-3-(1,1,1-2H3)heptanone [French] [ACD/IUPAC Name]
MFCD27966808
6-[bis(trideuteriomethyl)amino]-1,1,1-trideuterio-4,4-diphenylheptan-3-one
6-[bis(trideuteriomethyl)amino]-1,1,1-trideuterio-4,4-diphenyl-heptan-3-one
rac-Methadone-D9 0.1 mg/ml in Methanol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 423.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 126.5±19.8 °C
Index of Refraction: 1.538
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 6.72
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 32.02
ACD/KOC (pH 7.4): 142.04
Polar Surface Area: 20 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 306.5±3.0 cm3

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