Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1)

CAS Registry Number®

5096-13-9
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CAS Name

Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1)

Molecular Formula

C13H13N2O.Cl

Cite this Page

Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5096-13-9 (retrieved 2024-08-11) (CAS RN: 5096-13-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    230 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H12N2O.ClH/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11;/h1-8,10H,9H2,(H-,14,16);1H

InChIKey

InChIKey=XLYNVJJFQHWCEU-UHFFFAOYSA-N

SMILES

C([N+]=1C=C(C(N)=O)C=CC1)C2=CC=CC=C2.[Cl-]

Canonical SMILES

[Cl-].O=C(N)C1=CC=C[N+](=C1)CC=2C=CC=CC2

Other Names for this Substance

  • Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1)
  • Pyridinium, 1-benzyl-3-carbamoyl-, chloride
  • Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride
  • 1-Benzyl-3-carbamoylpyridinium chloride
  • N1-Benzylnicotinamide chloride

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Deleted or Replaced CAS Registry Numbers

53165-93-8