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Also known as: 13433-00-6, Diethyl 2-aminomalonate hydrochloride, Aminomalonic acid diethyl ester hydrochloride, Mfcd00012510, Diethyl 2-aminomalonate hcl, 1,3-diethyl 2-aminopropanedioate hydrochloride
Molecular Formula
C7H14ClNO4
Molecular Weight
211.64  g/mol
InChI Key
GLFVNTDRBTZJIY-UHFFFAOYSA-N

CAS 13433-00-6
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 MeSH Synonyms

1. Diethyl Aminomalonate

2.2.2 Depositor-Supplied Synonyms

1. 13433-00-6

2. Diethyl 2-aminomalonate Hydrochloride

3. Aminomalonic Acid Diethyl Ester Hydrochloride

4. Mfcd00012510

5. Diethyl 2-aminomalonate Hcl

6. 1,3-diethyl 2-aminopropanedioate Hydrochloride

7. 1,3-diethyl 2-aminopropanedioate, Hcl

8. Diethyl 2-aminopropanedioate;hydrochloride

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

10. Diethyl Aminomalonate Hcl

11. Einecs 236-556-8

12. Schembl275716

13. Diethylaminomalonatehydrochloride

14. Dtxsid50158646

15. Diethyl2-aminomalonatehydrochloride

16. Act02715

17. Amy10715

18. Bcp32634

19. Nsc76074

20. Str03041

21. Ab7005

22. Nsc 76074

23. Nsc-76074

24. Akos005146507

25. Ac-7172

26. Cs-w019859

27. Diethyl Aminomalonate Hydrochloride Salt

28. Diethyl Aminopropanedioate Hydrochloride

29. Diethyl Aminomalonate Hydrochloride, 98%

30. Sy004552

31. Aminomalonic Acid Diethyl Ester Hyrochloride

32. Db-029658

33. Ft-0622291

34. (1,3-diethoxy-1,3-dioxopropan-2-yl)azanium;chloride

35. F0001-0451

36. Z212046208

37. Diethyl 2-aminomalonate Hydrochloride;aminomalonic Acid Diethyl Ester Hydrochloride

2.3 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 211.64 g/mol
Molecular Formula C7H14ClNO4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass211.0611356 g/mol
Monoisotopic Mass211.0611356 g/mol
Topological Polar Surface Area78.6 Ų
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

BUILDING BLOCK

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