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Chemistry

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Also known as: 78-73-9, Choline carbonate (1:1), Choline, hydrogen carbonate, 2-hydroxy-n,n,n-trimethylethanaminium hydrogencarbonate, (2-hydroxyethyl)trimethylammonium bicarbonate, V23dah2uhh
Molecular Formula
C6H15NO4
Molecular Weight
165.19  g/mol
InChI Key
DQKGOGJIOHUEGK-UHFFFAOYSA-M
FDA UNII
V23DAH2UHH

Choline Bicarbonate
1 2D Structure

Choline Bicarbonate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
2.1.2 InChI
InChI=1S/C5H14NO.CH2O3/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;(H2,2,3,4)/q+1;/p-1
2.1.3 InChI Key
DQKGOGJIOHUEGK-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C[N+](C)(C)CCO.C(=O)(O)[O-]
2.2 Other Identifiers
2.2.1 UNII
V23DAH2UHH
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 78-73-9

2. Choline Carbonate (1:1)

3. Choline, Hydrogen Carbonate

4. 2-hydroxy-n,n,n-trimethylethanaminium Hydrogencarbonate

5. (2-hydroxyethyl)trimethylammonium Bicarbonate

6. V23dah2uhh

7. Hydroxyethyltrimethylammonium Bicarbonate

8. Hydrogen Carbonate;2-hydroxyethyl(trimethyl)azanium

9. Choline, Carbonate (1:1) (salt)

10. Nsc-163321

11. Choline Hydrogen Carbonate

12. Unii-v23dah2uhh

13. Einecs 201-137-0

14. Nsc 163321

15. 2-hydroxyethyl)trimethylammonium Bicarbonate

16. Ec 201-137-0

17. Schembl182251

18. Dtxsid9051246

19. Ethanaminium, 2-hydroxy-n,n,n-trimethyl-, Carbonate (1:1) (salt)

20. Mfcd00031689

21. Nsc163321

22. Akos006228790

23. As-81041

24. Db-056329

25. Ft-0631347

26. E77589

27. 2-hydroxy-n,n,n-trimethylethanaminiumhydrogencarbonate

28. Ethanaminium,n,n-trimethyl-, Carbonate (1:1) (salt)

29. Q27291433

30. 2-hydroxy-n,n,n-trimethylethanaminium Hydrogen-carbonate

31. Ethanaminium, 2-hydroxy-n,n,n-trimethyl-, Carbonate (1:1)

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 165.19 g/mol
Molecular Formula C6H15NO4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass165.10010796 g/mol
Monoisotopic Mass165.10010796 g/mol
Topological Polar Surface Area80.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity71.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

API Reference Price

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04-Feb-2021
19-May-2021
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