1-Propanesulfonic acid, 3-[ethyl(3-methylphenyl)amino]-2-hydroxy-, sodium salt, hydrate (1:1:2)

CAS Registry Number®

679787-10-1
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CAS Name

1-Propanesulfonic acid, 3-[ethyl(3-methylphenyl)amino]-2-hydroxy-, sodium salt, hydrate (1:1:2)

Molecular Formula

C12H19NO4S.2H2O.Na

Cite this Page

1-Propanesulfonic acid, 3-[ethyl(3-methylphenyl)amino]-2-hydroxy-, sodium salt, hydrate (1:1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=679787-10-1 (retrieved 2024-09-10) (CAS RN: 679787-10-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H19NO4S.Na.2H2O/c1-3-13(8-12(14)9-18(15,16)17)11-6-4-5-10(2)7-11;;;/h4-7,12,14H,3,8-9H2,1-2H3,(H,15,16,17);;2*1H2

InChIKey

InChIKey=NGZFLFCIUUFRNI-UHFFFAOYSA-N

SMILES

N(CC(CS(=O)(=O)O)O)(CC)C1=CC(C)=CC=C1.[Na].O

Canonical SMILES

[Na].O=S(=O)(O)CC(O)CN(C1=CC=CC(=C1)C)CC.O

Other Names for this Substance

  • 1-Propanesulfonic acid, 3-[ethyl(3-methylphenyl)amino]-2-hydroxy-, sodium salt, hydrate (1:1:2)
  • 1-Propanesulfonic acid, 3-[ethyl(3-methylphenyl)amino]-2-hydroxy-, monosodium salt, dihydrate