Methanaminium, 1-carboxy-N,N,N-trimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

CAS Registry Number®

17671-50-0
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CAS Name

Methanaminium, 1-carboxy-N,N,N-trimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Molecular Formula

C6H7O7.C5H12NO2

Cite this Page

Methanaminium, 1-carboxy-N,N,N-trimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17671-50-0 (retrieved 2024-03-04) (CAS RN: 17671-50-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H8O7.C5H11NO2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5(7)8/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);4H2,1-3H3

InChIKey

InChIKey=YKXUOESQDCXGIW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Methanaminium, 1-carboxy-N,N,N-trimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Betaine, citrate
  • Methanaminium, 1-carboxy-N,N,N-trimethyl-, salt with 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1)
  • (Carboxymethyl)trimethylammonium dihydrogen citrate
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ion(1-), 1-carboxy-N,N,N-trimethylmethanaminium

Deleted or Replaced CAS Registry Numbers

2092-67-3, 16886-80-9, 25254-25-5, 259234-24-7, 260062-80-4, 438542-89-3, 879639-25-5

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