Pyridinium, 1-(4-sulfobutyl)-, sulfate (1:1)

CAS Registry Number®

827320-61-6
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CAS Name

Pyridinium, 1-(4-sulfobutyl)-, sulfate (1:1)

Molecular Formula

C9H14NO3S.HO4S

Cite this Page

Pyridinium, 1-(4-sulfobutyl)-, sulfate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=827320-61-6 (retrieved 2024-09-07) (CAS RN: 827320-61-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Density (1)

    1.4495 g/cm³ (liquid) @ Temp: 60.000 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H13NO3S.H2O4S/c11-14(12,13)9-5-4-8-10-6-2-1-3-7-10;1-5(2,3)4/h1-3,6-7H,4-5,8-9H2;(H2,1,2,3,4)

InChIKey

InChIKey=QPABZHYKFUAWHQ-UHFFFAOYSA-N

SMILES

C(CCCS(=O)(=O)O)[N+]=1C=CC=CC1.S(=O)(=O)([O-])O

Canonical SMILES

O=S(=O)([O-])O.O=S(=O)(O)CCCC[N+]=1C=CC=CC1

Other Names for this Substance

  • Pyridinium, 1-(4-sulfobutyl)-, sulfate (1:1)
  • 1-(4-Sulfobutyl)pyridinium hydrogen sulfate
  • N-Sulfobutylpyridinium bisulfate

Deleted or Replaced CAS Registry Numbers

1226778-17-1, 1255718-47-8, 1391927-46-0, 1555873-00-1