CAS 104-79-0

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Also known as: 104-79-0, N1,n1-diethyl-n2-methylethane-1,2-diamine, 1,2-ethanediamine, n,n-diethyl-n'-methyl-, 2-(diethylamino)-n-methylethylamine, Ethylenediamine, n,n-diethyl-n'-methyl-, N',n'-diethyl-n-methylethane-1,2-diamine

Molecular Formula

C₇H₁₈N₂

Molecular Weight

130.23 g/mol

InChI Key

MKDYQLJYEBWUIG-UHFFFAOYSA-N

1 2D Structure

CAS 104-79-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N',N'-diethyl-N-methylethane-1,2-diamine

2.1.2 InChI

InChI=1S/C7H18N2/c1-4-9(5-2)7-6-8-3/h8H,4-7H2,1-3H3

2.1.3 InChI Key

MKDYQLJYEBWUIG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN(CC)CCNC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 104-79-0

2. N1,n1-diethyl-n2-methylethane-1,2-diamine

3. 1,2-ethanediamine, N,n-diethyl-n'-methyl-

4. 2-(diethylamino)-n-methylethylamine

5. Ethylenediamine, N,n-diethyl-n'-methyl-

6. N',n'-diethyl-n-methylethane-1,2-diamine

7. (2-(diethylamino)ethyl)methylamine

8. [2-(diethylamino)ethyl]methylamine

9. N,n-diethyl-n/'-methylethylenediamine

10. N,n-diethyl-n-methylethylenediamine

11. N1,n1-diethyl-n2-methyl-1,2-ethanediamine

12. Diethyl(2-methylaminoethyl)amine

13. N,n-diethyl-n'-methylenediamine

14. Nsc27480

15. Einecs 203-238-5

16. Nsc 27480

17. Unii-e57sye7wsp

18. E57sye7wsp

19. 1,2-ethanediamine, N1,n1-diethyl-n2-methyl-

20. Nciopen2_003962

21. Schembl40090

22. Dtxsid2059304

23. Mkdyqljyebwuig-uhfffaoysa-

24. N,n-diethyl-n'-methylene Diamine

25. Str05847

26. 2-(diethylamino)-ethyl-methyl-amine

27. Mfcd00009053

28. Nsc-27480

29. Zinc19275844

30. [2-(diethylamino)ethyl](methyl)amine

31. Ethylenediamine,n-diethyl-n'-methyl-

32. N,n-diethyl-n'-methylethyl Enediamine

33. Akos000156802

34. Bp-30143

35. N-[2-(diethylamino)ethyl]-n-methylamine

36. Db-040561

37. N,n-diethyl-n'-methyl-ethane-1,2-diamine

38. N,n-diethyl-n'-methylethylenediamine, 97%

39. D1297

40. Ft-0631576

41. Ec-000.1330

42. D89828

43. J-001255

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₈N₂
Molecular Weight	130.23 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	130.146998583 g/mol
Monoisotopic Mass	130.146998583 g/mol
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	50.9
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	1

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