Hexanoic acid, 6-amino-, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)

CAS Registry Number®

5514-99-8
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CAS Name

Hexanoic acid, 6-amino-, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)

Molecular Formula

C13H19NO2.C7H8O3S

Cite this Page

Hexanoic acid, 6-amino-, phenylmethyl ester, 4-methylbenzenesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5514-99-8 (retrieved 2024-09-18) (CAS RN: 5514-99-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    100 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H19NO2.C7H8O3S/c14-10-6-2-5-9-13(15)16-11-12-7-3-1-4-8-12;1-6-2-4-7(5-3-6)11(8,9)10/h1,3-4,7-8H,2,5-6,9-11,14H2;2-5H,1H3,(H,8,9,10)

InChIKey

InChIKey=LYALXYNFZAQLQW-UHFFFAOYSA-N

SMILES

C(OC(CCCCCN)=O)C1=CC=CC=C1.S(=O)(=O)(O)C1=CC=C(C)C=C1

Canonical SMILES

O=C(OCC=1C=CC=CC1)CCCCCN.O=S(=O)(O)C1=CC=C(C=C1)C

Other Names for this Substance

  • Hexanoic acid, 6-amino-, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
  • Hexanoic acid, 6-amino-, benzyl ester, p-toluenesulfonate
  • Hexanoic acid, 6-amino-, phenylmethyl ester, 4-methylbenzenesulfonate
  • Benzyl ε-aminohexanoate tosylate
  • 6-(Benzyloxy)-6-oxohexan-1-aminium 4-methylbenzenesulfonate

Deleted or Replaced CAS Registry Numbers

162831-87-0