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Chemistry

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Also known as: 5988-51-2, Dmae tartrate, 2-(dimethylamino)ethanol (2r,3r)-2,3-dihydroxysuccinate, 29870-28-8, 2-dimethylaminoethanol hydrogen l-(+)-tartrate, 2-dimethylaminoethanol bitartrate

Molecular Formula

C₈H₁₇NO₇

Molecular Weight

239.22 g/mol

InChI Key

UIEGYKVRCKDVKQ-LREBCSMRSA-N

FDA UNII

D240J05W14

1 2D Structure

L (+) Dmae Bitartrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,3R)-2,3-dihydroxybutanedioic acid;2-(dimethylamino)ethanol

2.1.2 InChI

InChI=1S/C4H11NO.C4H6O6/c1-5(2)3-4-6;5-1(3(7)8)2(6)4(9)10/h6H,3-4H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

2.1.3 InChI Key

UIEGYKVRCKDVKQ-LREBCSMRSA-N

2.1.4 Canonical SMILES

CN(C)CCO.C(C(C(=O)O)O)(C(=O)O)O

2.1.5 Isomeric SMILES

CN(C)CCO.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

D240J05W14

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 5988-51-2

2. Dmae Tartrate

3. 2-(dimethylamino)ethanol (2r,3r)-2,3-dihydroxysuccinate

4. 29870-28-8

5. 2-dimethylaminoethanol Hydrogen L-(+)-tartrate

6. 2-dimethylaminoethanol Bitartrate

7. 2-(dimethylamino)ethanol L-(+)-bitartrate

8. D240j05w14

9. Ethanol, 2-(dimethylamino)-, (2r,3r)-2,3-dihydroxybutanedioate (1:1) (salt)

10. Dmae Bitartrate

11. Dimethylaminoethanol Tartrate

12. 2-(dimethylamino)ethanol Hydrogen L-(+)-tartrate

13. Unii-d240j05w14

14. N,n-dimethylethanolamine (+)-bitartrate Salt

15. Einecs 227-809-3

16. Deanol Tartrate

17. Dmae L-tartrate

18. N,n-dimethylethanolamine-tartrate Acid Salt

19. Ethanol, 2-(dimethylamino)-, Tartrate (1:1)

20. Oristar Dmae Tartrate

21. (2-hydroxyethyl)dimethylammonium Hydrogen Tartrate

22. Deanol Bitartrate [mi]

23. Dtxsid40952332

24. Deanol Bitartrate [who-dd]

25. Dimethylaminoethyl Bitartrate

26. Ethanol, 2-dimethylamino-, Tartrate

27. Mfcd00066567

28. 2-dimethylaminoethanol Tartrate

29. Akos027379845

30. Ethanol, 2-(dimethylamino)-, (2r,3r)-2,3-dihydroxybutanedioate (1:?)

31. Ethanol, 2-(dimethylamino)-, (2r,3r)-2,3-dihydroxybutanedioate (salt)

32. Cs-w012821

33. Ds-13096

34. Dimethylaminoethanol Tartrate [inci]

35. D1174

36. D89803

37. N,n-dimethylethanolamine-tartaric Acid Salt

38. Q27275997

39. 2-dimethylaminoethanol (+)-bitartrate Salt, >=99.0%

40. (2r,3r)-2,3-dihydroxybutanedioic Acid;2-(dimethylamino)ethanol

41. 6-bromo-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol

42. Ethanol, 2-(dimethylamino)-, (2r, 3r)-2,3-dihydroxybutanedioate (salt)

43. Ethanol, 2-(dimethylamino)-, (2r,3r)-2,3-dihydroxybutanedioate (1:1)

44. Ethanol, 2-(dimethylamino)-, (r-(r*,r))-2,3-dihydroxybutanedioate (1:1) (salt)

45. Ethanol, 2-(dimethylamino)-, (r-(r*,r*))-2,3-dihydroxybutanedioate (1:1)

2.4 Create Date

2007-07-12

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₇NO₇
Molecular Weight	239.22 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	239.10050188 g/mol
Monoisotopic Mass	239.10050188 g/mol
Topological Polar Surface Area	139 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	163
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2