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CAS 13433-00-6
PharmaCompass
  • Chemistry
CAS 13433-00-6
Also known as: 13433-00-6, Diethyl 2-aminomalonate hydrochloride, Aminomalonic acid diethyl ester hydrochloride, 1,3-diethyl 2-aminopropanedioate hydrochloride, Mfcd00012510, Propanedioic acid, amino-, diethyl ester, hydrochloride
Molecular Formula
C7H14ClNO4
Molecular Weight
211.642  g/mol
InChI Key
GLFVNTDRBTZJIY-UHFFFAOYSA-N

1 2D Structure

CAS 13433-00-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
diethyl 2-aminopropanedioate;hydrochloride
2.1.2 InChI
InChI=1S/C7H13NO4.ClH/c1-3-11-6(9)5(8)7(10)12-4-2;/h5H,3-4,8H2,1-2H3;1H
2.1.3 InChI Key
GLFVNTDRBTZJIY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C(C(=O)OCC)N.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 13433-00-6

2. Diethyl 2-aminomalonate Hydrochloride

3. Aminomalonic Acid Diethyl Ester Hydrochloride

4. 1,3-diethyl 2-aminopropanedioate Hydrochloride

5. Mfcd00012510

6. Propanedioic Acid, Amino-, Diethyl Ester, Hydrochloride

7. Diethyl 2-aminopropanedioate Hydrochloride

8. St50308255

9. Diethyl 2-aminomalonate Hcl

10. Diethyl Aminomalonate Hcl

11. Diethyl 2-aminopropane-1,3-dioate, Chloride

12. Einecs 236-556-8

13. Pubchem23977

14. Ac1mj1zi

15. Acmc-1bwk4

16. Ksc494g7b

17. Schembl275716

18. Diethylaminomalonatehydrochloride

19. Diethylamino Malonate Hcl

20. Ctk3j4370

21. 6829-40-9 (parent)

22. Dtxsid50158646

23. Ebd4845

24. Glfvntdrbtzjiy-uhfffaoysa-n

25. Molport-000-145-897

26. Act02715

27. Nsc76074

28. Str03041

29. Anw-19626

30. Diethylacetamidomalonate Hydrochloride

31. Nsc-76074

32. Akos005146507

33. Ac-7172

34. An-9251

35. Diethyl Aminomalonate Hydrochloride Salt

36. Diethyl Aminopropanedioate Hydrochloride

37. Ls41747

38. Ls41953

39. Mcule-1941458958

40. Rl01554

41. Rp26635

42. Rtr-004639

43. Tra0054575

44. Ks-0000015o

45. Diethyl Aminomalonate Hydrochloride, 98%

46. Ak-45984

47. Br-45984

48. Kb-49834

49. Or004703

50. Sc-15748

51. Sy004552

52. Tl806211

53. Aminomalonic Acid Diethyl Ester Hcl

54. Ab0008405

55. Ab1000142

56. Aminomalonic Acid Diethyl Ester Hyrochloride

57. Db-029658

58. St2412807

59. Tr-004639

60. Ft-0622291

61. M-3973

62. Diethyl 2-aminopropane-1,3-dioate Hydrochloride

63. I04-0241

64. F0001-0451

65. Z212046208

66. Diethyl 2-aminomalonate Hydrochloride; Aminomalonic Acid Diethyl Ester Hydrochloride

2.3 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 211.642 g/mol
Molecular Formula C7H14ClNO4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass211.061 g/mol
Monoisotopic Mass211.061 g/mol
Topological Polar Surface Area78.6 A^2
Heavy Atom Count13
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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