Alanine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)

CAS Registry Number®

35386-78-8

CAS Name

Alanine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)

Molecular Formula

C10H13NO2.C7H8O3S

Cite this Page

Alanine, 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=35386-78-8 (retrieved 2024-10-05) (CAS RN: 35386-78-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    114.33 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10)

InChIKey

InChIKey=NWOPHJSSBMABBD-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Alanine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
  • DL-Alanine, phenylmethyl ester, 4-methylbenzenesulfonate
  • Alanine, phenylmethyl ester, 4-methylbenzenesulfonate
  • DL-Alanine benzyl ester p-toluenesulfonate

Deleted or Replaced CAS Registry Numbers

194020-68-3, 1375593-05-7

CAS INSIGHTSTM
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