CAS 13433-00-6

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4 Suppliers, 3 End Use APIs, 43 Related Intermediates

4 Suppliers
3 End Use APIs
43 Related Intermediates

Chemistry

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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

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 Formula	C₇H₁₄ClNO₄
Molecular Weight	211.64 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	211.0611356 g/mol
Monoisotopic Mass	211.0611356 g/mol
Topological Polar Surface Area	78.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	151
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