N-Acetyl-3-chloroalanine methyl ester

CAS Registry Number®

87333-22-0
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CAS Name

N-Acetyl-3-chloroalanine methyl ester

Molecular Formula

C6H10ClNO3

Molecular Mass

179.60

Cite this Page

N-Acetyl-3-chloroalanine methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=87333-22-0 (retrieved 2024-04-28) (CAS RN: 87333-22-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    79-80 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H10ClNO3/c1-4(9)8-5(3-7)6(10)11-2/h5H,3H2,1-2H3,(H,8,9)

InChIKey

InChIKey=IGKDMFMKAAPDDN-UHFFFAOYSA-N

SMILES

C(C(OC)=O)(NC(C)=O)CCl

Canonical SMILES

O=C(NC(C(=O)OC)CCl)C

Other Names for this Substance

  • Alanine, N-acetyl-3-chloro-, methyl ester
  • N-Acetyl-3-chloroalanine methyl ester
  • DL-N-Acetyl-β-chloroalanine methyl ester
  • (±)-Methyl 2-(acetylamino)-3-chloropropionate
  • NSC 146378

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Deleted or Replaced CAS Registry Numbers

40026-27-5, 2170919-19-2

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