N-Acetyl-4-(trifluoromethyl)phenylalanine

CAS Registry Number®

82337-58-4
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CAS Name

N-Acetyl-4-(trifluoromethyl)phenylalanine

Molecular Formula

C12H12F3NO3

Molecular Mass

275.22

Cite this Page

N-Acetyl-4-(trifluoromethyl)phenylalanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82337-58-4 (retrieved 2024-09-07) (CAS RN: 82337-58-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    178-178.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H12F3NO3/c1-7(17)16-10(11(18)19)6-8-2-4-9(5-3-8)12(13,14)15/h2-5,10H,6H2,1H3,(H,16,17)(H,18,19)

InChIKey

InChIKey=MPQGVZVPMHZXNT-UHFFFAOYSA-N

SMILES

C(C(NC(C)=O)C(O)=O)C1=CC=C(C(F)(F)F)C=C1

Canonical SMILES

O=C(O)C(NC(=O)C)CC1=CC=C(C=C1)C(F)(F)F

Other Names for this Substance

  • Phenylalanine, N-acetyl-4-(trifluoromethyl)-
  • DL-Phenylalanine, N-acetyl-4-(trifluoromethyl)-
  • N-Acetyl-4-(trifluoromethyl)phenylalanine
  • 2-Acetamido-3-[4-(trifluoromethyl)phenyl]propanoic acid

Deleted or Replaced CAS Registry Numbers

2994-77-6