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Also known as: 1116-77-4, (4,4-diethoxy-butyl)-dimethyl-amine, 4,4-diethoxy-n,n-dimethylbutan-1-amine, 4,4-diethoxy-n,n-dimethylbutanamine, 4,4-diethoxy-n,n-dimethylbutylamine, 1-butanamine, 4,4-diethoxy-n,n-dimethyl-
Molecular Formula
C10H23NO2
Molecular Weight
189.30  g/mol
InChI Key
QKXMWBLNSPNBEY-UHFFFAOYSA-N
FDA UNII
P64QEI4T0I

CAS 1116-77-4
1 2D Structure

CAS 1116-77-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4,4-diethoxy-N,N-dimethylbutan-1-amine
2.1.2 InChI
InChI=1S/C10H23NO2/c1-5-12-10(13-6-2)8-7-9-11(3)4/h10H,5-9H2,1-4H3
2.1.3 InChI Key
QKXMWBLNSPNBEY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(CCCN(C)C)OCC
2.2 Other Identifiers
2.2.1 UNII
P64QEI4T0I
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1116-77-4

2. (4,4-diethoxy-butyl)-dimethyl-amine

3. 4,4-diethoxy-n,n-dimethylbutan-1-amine

4. 4,4-diethoxy-n,n-dimethylbutanamine

5. 4,4-diethoxy-n,n-dimethylbutylamine

6. 1-butanamine, 4,4-diethoxy-n,n-dimethyl-

7. 4-(dimethylamino)butyraldehyde Diethyl Acetal

8. 4,4-diethoxy-n,n-dimethyl Butylamine

9. Zolmitriptan Related Compound H

10. 4-dimethylaminobutyraldehyde Diethyl Acetal

11. Mfcd00671479

12. P64qei4t0i

13. 111666-77-4

14. 4-(dimethylamino)butanal Diethyl Acetal

15. Zolmitriptan Related Compound H [usp-rs]

16. 4,4-diethoxy-n, N-dimethyl-butylamine

17. 4-dimethylaminobutyraldehyde Diethylacetal

18. Unii-p64qei4t0i

19. Schembl823290

20. Dtxsid50338168

21. 4-dimethylaminobutanal Diethylacetal

22. Act04416

23. Baa11677

24. Zinc2567269

25. Akos015908664

26. Ac-2019

27. Sb30689

28. 4-(dimethylamino) Butanal Diethylacetal

29. (4,4-diethoxybutyl)dimethylamine

30. As-13097

31. Sy049351

32. 4,4-diethoxy-n,n-dimethyl-1-butanamine #

33. Db-028632

34. 4-(dimethylamino)-butyraldehyde Diethylacetal

35. Cs-0186902

36. D3973

37. Ft-0654014

38. Ft-0654496

39. J1131

40. W11982

41. A802394

42. Q-101941

43. Zolmitriptan Related Compound H, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 189.30 g/mol
Molecular Formula C10H23NO2
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass189.172878976 g/mol
Monoisotopic Mass189.172878976 g/mol
Topological Polar Surface Area21.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity101
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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