Inabata Diisopropylamine Dichloroacetate

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Inabata Diisopropylammonium Dichloroacetate

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Chemistry

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Also known as: 660-27-5, Diisopropylamine 2,2-dichloroacetate, Diisopropylamine dichloroacetate, Vasculopatina, Dipromonium, Oxypangam

Molecular Formula

C₈H₁₇Cl₂NO₂

Molecular Weight

230.13 g/mol

InChI Key

ILKBHIBYKSHTKQ-UHFFFAOYSA-N

FDA UNII

BA6QDP0R4E

1 2D Structure

Diisopropylamine Dichloroacetate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,2-dichloroacetic acid;N-propan-2-ylpropan-2-amine

2.1.2 InChI

InChI=1S/C6H15N.C2H2Cl2O2/c1-5(2)7-6(3)4;3-1(4)2(5)6/h5-7H,1-4H3;1H,(H,5,6)

2.1.3 InChI Key

ILKBHIBYKSHTKQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)NC(C)C.C(C(=O)O)(Cl)Cl

2.2 Other Identifiers

2.2.1 UNII

BA6QDP0R4E

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Di-isopropylamine Dichloroacetate

2. Diisopropylamine Dichloroacetate

3. Diisopropylammonium Dichloroethanoate

4. Dipa

5. Dipromonium

2.3.2 Depositor-Supplied Synonyms

1. 660-27-5

2. Diisopropylamine 2,2-dichloroacetate

3. Diisopropylamine Dichloroacetate

4. Vasculopatina

5. Dipromonium

6. Oxypangam

7. Disotat

8. Kalodil

9. Diisopropylamine Dichloroacetate [jan]

10. Ba6qdp0r4e

11. Acetic Acid, Dichloro-, Compd. With N-(1-methylethyl)-2-propanamine (1:1)

12. 2,2-dichloroacetic Acid;n-propan-2-ylpropan-2-amine

13. Cubisol

14. Dapocel

15. Tensicor

16. Dedyl

17. Beta-anoxin

18. Dada

19. Diedi

20. Krino B 15

21. Diisopropylamine Dichloroacetate (jan)

22. Diisopropylamine Dichloroethanoate

23. Dipa-dca

24. Diisopropylammonium Dichloroethanoate

25. Einecs 211-538-2

26. Unii-ba6qdp0r4e

27. Is 401

28. Dichloroacetic Acid, Diisopropylamine Salt

29. Diisopropylammonium Dichloroacetat

30. Dichloroacetato Di Diisopropilammonio [italian]

31. Liverall (tn)

32. Dichloroacetato Di Diisopropilammonio

33. Diisopropylamine, Compd. With Dichloroacetic Acid (1:1)

34. Dicloroacetic Acid Diisopropylammonium Salt

35. Diisopropylammonium Dichloroacetat [iupac]

36. Dichloroacetic Acid Diisopropylammonium Salt

37. Acetic Acid, Dichloro-, Compd. With Diisopropylamine (1:1)

38. Diisopropylamindichloracetat

39. Schembl316728

40. Dtxsid7060962

41. Chebi:31492

42. Bcpp000258

43. Bcp26335

44. Cs-b1708

45. Is-401

46. 2,2-dichloroacetic Acid Compd With N-(1-methylethyl)-2-propanamine (1:1)

47. Acetic Acid, Dichloro-, Compd. With N-(1-methylethyl)-2-propanamine(1:1)

48. Akos016004277

49. Bcp9000609

50. Di-isopropylamine Dichloroacetate

51. As-14146

52. D5074

53. Diisopropylamine Dichloroacetate [mi]

54. Ft-0654416

55. D01816

56. Diisopropylamine Dichloroacetate [who-dd]

57. 660d275

58. Di-isopropylammonium Dichloroacetate [mart.]

59. Q27274565

60. Acetic Acid, 2,2-dichloro-, Compd. With N-(1-methylethyl)-2-propanamine (1:1)

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₇Cl₂NO₂
Molecular Weight	230.13 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	229.0636342 g/mol
Monoisotopic Mass	229.0636342 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	94
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2