Benzamide, N-[(1S)-1-(aminocarbonyl)-4-[(2-fluoro-1-iminoethyl)amino]butyl]-, 2,2,2-trifluoroacetate (1:1)

CAS Registry Number®

877617-46-4

CAS Name

Benzamide, N-[(1S)-1-(aminocarbonyl)-4-[(2-fluoro-1-iminoethyl)amino]butyl]-, 2,2,2-trifluoroacetate (1:1)

Molecular Formula

C14H19FN4O2.C2HF3O2

Cite this Page

Benzamide, N-[(1S)-1-(aminocarbonyl)-4-[(2-fluoro-1-iminoethyl)amino]butyl]-, 2,2,2-trifluoroacetate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=877617-46-4 (retrieved 2024-11-22) (CAS RN: 877617-46-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H19FN4O2.C2HF3O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10;3-2(4,5)1(6)7/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21);(H,6,7)/t11-;/m0./s1

InChIKey

InChIKey=RJYLIKJNBRPBOO-MERQFXBCSA-N

SMILES

C(N[C@@H](CCCNC(CF)=N)C(N)=O)(=O)C1=CC=CC=C1.C(C(O)=O)(F)(F)F

Canonical SMILES

O=C(O)C(F)(F)F.O=C(N)C(NC(=O)C=1C=CC=CC1)CCCNC(=N)CF

Other Names for this Substance

  • Benzamide, N-[(1S)-1-(aminocarbonyl)-4-[(2-fluoro-1-iminoethyl)amino]butyl]-, 2,2,2-trifluoroacetate (1:1)
  • Benzamide, N-[(1S)-1-(aminocarbonyl)-4-[(2-fluoro-1-iminoethyl)amino]butyl]-, mono(trifluoroacetate)
  • F-Amidine trifluoroacetate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration