N-Benzoyl-3-chloroalanine methyl ester

CAS Registry Number®

33646-32-1
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CAS Name

N-Benzoyl-3-chloroalanine methyl ester

Molecular Formula

C11H12ClNO3

Molecular Mass

241.67

Cite this Page

N-Benzoyl-3-chloroalanine methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=33646-32-1 (retrieved 2024-09-09) (CAS RN: 33646-32-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    114 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H12ClNO3/c1-16-11(15)9(7-12)13-10(14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,14)

InChIKey

InChIKey=YWPXOLXUAWAXOD-UHFFFAOYSA-N

SMILES

C(NC(C(OC)=O)CCl)(=O)C1=CC=CC=C1

Canonical SMILES

O=C(OC)C(NC(=O)C=1C=CC=CC1)CCl

Other Names for this Substance

  • Alanine, N-benzoyl-3-chloro-, methyl ester
  • N-Benzoyl-3-chloroalanine methyl ester
  • Methyl 2-benzamido-3-chloropropionate
  • NSC 151748

Deleted or Replaced CAS Registry Numbers

52778-74-2