Butixirate

CAS Registry Number®

19992-80-4

CAS Name

Butixirate

Molecular Formula

C16H16O2.C12H17N

Cite this Page

Butixirate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19992-80-4 (retrieved 2024-11-24) (CAS RN: 19992-80-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    224-227 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1/C16H16O2.C12H17N/c1-2-15(16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h3-11,15H,2H2,1H3,(H,17,18);1-5,11-12H,6-9,13H2/t;11-,12-

InChIKey

InChIKey=KWFFVBCJCQQAIV-CLVGDUISNA-N

SMILES

N[C@H]1CC[C@@H](CC1)C2=CC=CC=C2.C(C(O)=O)(CC)C1=CC=C(C=C1)C2=CC=CC=C2

Canonical SMILES

O=C(O)C(C=1C=CC(=CC1)C=2C=CC=CC2)CC.NC1CCC(C=2C=CC=CC2)CC1

Other Names for this Substance

  • [1,1′-Biphenyl]-4-acetic acid, α-ethyl-, compd. with trans-4-phenylcyclohexanamine (1:1)
  • 4-Biphenylacetic acid, α-ethyl-, compd. with 4-phenylcyclohexylamine (1:1), trans-
  • Cyclohexylamine, 4-phenyl-, α-ethyl-4-biphenylacetate, trans-
  • Cyclohexanamine, 4-phenyl-, trans-, α-ethyl[1,1′-biphenyl]-4-acetate
  • Flectar

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