Boronic acid, B-[4-[1-(1-piperazinyl)ethyl]phenyl]-, 2,2,2-trifluoroacetate (1:1)

CAS Registry Number®

1704069-49-7
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CAS Name

Boronic acid, B-[4-[1-(1-piperazinyl)ethyl]phenyl]-, 2,2,2-trifluoroacetate (1:1)

Molecular Formula

C12H19BN2O2.C2HF3O2

Cite this Page

Boronic acid, B-[4-[1-(1-piperazinyl)ethyl]phenyl]-, 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=1704069-49-7 (retrieved 2024-07-02) (CAS RN: 1704069-49-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H19BN2O2.C2HF3O2/c1-10(15-8-6-14-7-9-15)11-2-4-12(5-3-11)13(16)17;3-2(4,5)1(6)7/h2-5,10,14,16-17H,6-9H2,1H3;(H,6,7)

InChIKey

InChIKey=IKJQWXQYNQQZAK-UHFFFAOYSA-N

SMILES

C(C)(C1=CC=C(B(O)O)C=C1)N2CCNCC2.C(C(O)=O)(F)(F)F

Canonical SMILES

O=C(O)C(F)(F)F.OB(O)C1=CC=C(C=C1)C(N2CCNCC2)C

Other Names for this Substance

  • Boronic acid, B-[4-[1-(1-piperazinyl)ethyl]phenyl]-, 2,2,2-trifluoroacetate (1:1)