Pyridinium, 3-(aminocarbonyl)-1-(3-sulfopropyl)-, inner salt

CAS Registry Number®

51652-08-5

CAS Name

Pyridinium, 3-(aminocarbonyl)-1-(3-sulfopropyl)-, inner salt

Molecular Formula

C9H12N2O4S

Cite this Page

Pyridinium, 3-(aminocarbonyl)-1-(3-sulfopropyl)-, inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51652-08-5 (retrieved 2025-01-03) (CAS RN: 51652-08-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >300 °C (decomp)

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C9H12N2O4S/c10-9(12)8-3-1-4-11(7-8)5-2-6-16(13,14)15/h1,3-4,7H,2,5-6H2,(H2-,10,12,13,14,15)

InChIKey

InChIKey=XIBSUARVKSGYPL-UHFFFAOYSA-N

SMILES

C(N)(=O)C1=C[N+](CCCS(=O)(=O)[O-])=CC=C1

Canonical SMILES

O=C(N)C1=CC=C[N+](=C1)CCCS(=O)(=O)[O-]

Other Names for this Substance

  • Pyridinium, 3-(aminocarbonyl)-1-(3-sulfopropyl)-, inner salt
  • Pyridinium, 3-(aminocarbonyl)-1-(3-sulfopropyl)-, hydroxide, inner salt
  • 3-Carbamoyl-1-(3-sulfopropyl)pyridinium hydroxide, inner salt

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