Chloral Betaine

CAS Registry Number®

2218-68-0
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CAS Name

Chloral Betaine

Molecular Formula

C5H11NO2.C2H3Cl3O2

Cite this Page

Chloral Betaine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2218-68-0 (retrieved 2021-10-16) (CAS RN: 2218-68-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    122.5-124.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C5H11NO2.C2H3Cl3O2/c1-6(2,3)4-5(7)8;3-2(4,5)1(6)7/h4H2,1-3H3;1,6-7H

InChIKey

InChIKey=ONAOIDNSINNZOA-UHFFFAOYSA-N

SMILES

C([N+](C)(C)C)C([O-])=O.C(C(O)O)(Cl)(Cl)Cl

Canonical SMILES

O=C([O-])C[N+](C)(C)C.ClC(Cl)(Cl)C(O)O

Other Names for this Substance

  • Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt, compd. with 2,2,2-trichloro-1,1-ethanediol (1:1)
  • Betaine, compd. with chloral hydrate (1:1)
  • Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide, inner salt, compd. with 2,2,2-trichloro-1,1-ethanediol (1:1)
  • Chloral hydrate, compd. with betaine (1:1)
  • 1,1-Ethanediol, 2,2,2-trichloro-, compd. with 1-carboxy-N,N,N-trimethylmethanaminium inner salt (1:1)