ChemSpider 2D Image | Albuterol-d9 | C13H12D9NO3

Albuterol-d9

  • Molecular FormulaC13H12D9NO3
  • Average mass248.366 Da
  • Monoisotopic mass248.208633 Da
  • ChemSpider ID28576355
  • Non-standard isotope - Non-standard isotope


More details:






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

1,3-Benzenedimethanol, α1-[[[1,1-di(methyl-d3)ethyl-2,2,2-d3]amino]methyl]-4-hydroxy- [ACD/Index Name]
1173021-73-2 [RN]
2-(Hydroxymethyl)-4-(1-hydroxy-2-{[2-(2H3)methyl(2H6)-2-propanyl]amino}ethyl)phenol [German] [ACD/IUPAC Name]
2-(Hydroxymethyl)-4-(1-hydroxy-2-{[2-(2H3)methyl(2H6)-2-propanyl]amino}ethyl)phenol [ACD/IUPAC Name]
2-(Hydroxyméthyl)-4-(1-hydroxy-2-{[2-(2H3)méthyl(2H6)-2-propanyl]amino}éthyl)phénol [French] [ACD/IUPAC Name]
4-Hydroxy-3-hydroxymethyl-α[(t-butyl-d9-amino)methyl]benzyl alcohol
Albuterol-d9
MFCD08702933
SALBUTAMOL-TERT-BUTYL-D9
(?)-Albuterol-d9 (tert-butyl-d9)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 433.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 159.5±17.9 °C
Index of Refraction: 1.566
Molar Refractivity: 67.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.01
ACD/LogD (pH 5.5): -2.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 207.6±3.0 cm3

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