Choline dihydrogen citrate

CAS Registry Number®

77-91-8

CAS Name

Choline dihydrogen citrate

Molecular Formula

C6H7O7.C5H14NO

Cite this Page

Choline dihydrogen citrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77-91-8 (retrieved 2024-11-22) (CAS RN: 77-91-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    106 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C6H8O7.C5H14NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);7H,4-5H2,1-3H3/q;+1/p-1

InChIKey

InChIKey=WRPUOFKIGGWQIJ-UHFFFAOYSA-M

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Choline, citrate (1:1) (salt)
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1)
  • Choline, citrate
  • Citric acid, ion(1-), choline

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Deleted or Replaced CAS Registry Numbers

53457-65-1, 53626-40-7, 87774-72-9, 147584-41-6, 147754-38-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration