ChemSpider 2D Image | MFCD18432340 | C9H13NO5S

MFCD18432340

  • Molecular FormulaC9H13NO5S
  • Average mass247.268 Da
  • Monoisotopic mass247.051437 Da
  • ChemSpider ID23120766

More details:

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

1-(3,4-Dihydroxyphenyl)-2-(methylammonio)ethanesulfonate [ACD/IUPAC Name]
1-(3,4-Dihydroxyphényl)-2-(méthylammonio)éthanesulfonate [French] [ACD/IUPAC Name]
1-(3,4-Dihydroxyphenyl)-2-(methylammonio)ethansulfonat [German] [ACD/IUPAC Name]
Benzenemethanesulfonic acid, 3,4-dihydroxy-α-[(methylamino)methyl]- [ACD/Index Name]
MFCD18432340
(±)-epinine ??-sulfonate <(±)-N-methyl-2-(3,4-dihydroxyphenyl)ethylammonium-2-sulfonate >
(1R)-1-(3,4-Dihydroxyphenyl)-2-(methylamino)ethanesulfonic acid [ACD/IUPAC Name]
1-(3,4-Dihydroxyphenyl)-2-(methylamino)ethane-1-sulfonic acid
1-(3,4-dihydroxyphenyl)-2-(methylazaniumyl)ethanesulfonate
1-(3,4-Dihydroxy-phenyl)-2-methylamino-ethanesulfonic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density:
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction:
    Molar Refractivity:
    #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: 123 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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