2-Butenoic acid, 4-amino-, ethyl ester, (2E)-, 2,2,2-trifluoroacetate (1:1)

CAS Registry Number®

1218810-53-7
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CAS Name

2-Butenoic acid, 4-amino-, ethyl ester, (2E)-, 2,2,2-trifluoroacetate (1:1)

Molecular Formula

C6H11NO2.C2HF3O2

Cite this Page

2-Butenoic acid, 4-amino-, ethyl ester, (2E)-, 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=1218810-53-7 (retrieved 2024-08-22) (CAS RN: 1218810-53-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H11NO2.C2HF3O2/c1-2-9-6(8)4-3-5-7;3-2(4,5)1(6)7/h3-4H,2,5,7H2,1H3;(H,6,7)/b4-3+;

InChIKey

InChIKey=PBCUXVBAFHEINJ-BJILWQEISA-N

SMILES

C(/C=C/CN)(OCC)=O.C(C(O)=O)(F)(F)F

Canonical SMILES

O=C(OCC)C=CCN.O=C(O)C(F)(F)F

Other Names for this Substance

  • 2-Butenoic acid, 4-amino-, ethyl ester, (2E)-, 2,2,2-trifluoroacetate (1:1)
  • Ethyl (2E)-4-aminobut-2-enoate trifluoroacetate