Chloral Betaine
CAS Registry Number®
2218-68-0
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CAS Name
Chloral BetaineMolecular Formula
C5H11NO2.C2H3Cl3O2Cite 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 ) (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(C(O)O)(Cl)(Cl)Cl.C([N+](C)(C)C)C([O-])=O
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)
