4-Chloro-α-methylphenylalanine ethyl ester

CAS Registry Number®

21158-73-6

CAS Name

4-Chloro-α-methylphenylalanine ethyl ester

Molecular Formula

C12H16ClNO2

Molecular Mass

241.71

Cite this Page

4-Chloro-α-methylphenylalanine ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21158-73-6 (retrieved 2025-01-30) (CAS RN: 21158-73-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    163-164 °C @ Press: 4-5 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H16ClNO2/c1-3-16-11(15)12(2,14)8-9-4-6-10(13)7-5-9/h4-7H,3,8,14H2,1-2H3

InChIKey

InChIKey=HKYTXRJHGDJCPV-UHFFFAOYSA-N

SMILES

C(C(C(OCC)=O)(C)N)C1=CC=C(Cl)C=C1

Canonical SMILES

O=C(OCC)C(N)(C)CC1=CC=C(Cl)C=C1

Other Names for this Substance

  • Phenylalanine, 4-chloro-α-methyl-, ethyl ester
  • Alanine, 3-(p-chlorophenyl)-2-methyl-, ethyl ester
  • 4-Chloro-α-methylphenylalanine ethyl ester