ChemSpider 2D Image | 1-(3,4-Dihydroxyphenyl)-2-[(~2~H_3_)methylamino]ethanesulfonic acid | C9H10D3NO5S

1-(3,4-Dihydroxyphenyl)-2-[(2H3)methylamino]ethanesulfonic acid

  • Molecular FormulaC9H10D3NO5S
  • Average mass250.287 Da
  • Monoisotopic mass250.070267 Da
  • ChemSpider ID48062416

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(3,4-Dihydroxyphenyl)-2-[(2H3)methylamino]ethanesulfonic acid [ACD/IUPAC Name]
1-(3,4-Dihydroxyphenyl)-2-[(2H3)methylamino]ethansulfonsäure [German] [ACD/IUPAC Name]
Acide 1-(3,4-dihydroxyphényl)-2-[(2H3)méthylamino]éthanesulfonique [French] [ACD/IUPAC Name]
Benzenemethanesulfonic acid, 3,4-dihydroxy-α-[(methyl-d3-amino)methyl]- [ACD/Index Name]
1-(3,4-dihydroxyphenyl)-2-(trideuteriomethylamino)ethanesulfonic acid
1346604-55-4 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 57.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -4.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 74.0±3.0 dyne/cm
Molar Volume: 163.7±3.0 cm3

Click to predict properties on the Chemicalize site


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