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CAS 1116-77-4
PharmaCompass
CAS 1116-77-4
Also known as: 1116-77-4, (4,4-diethoxy-butyl)-dimethyl-amine, 4,4-diethoxy-n,n-dimethylbutanamine, 4,4-diethoxy-n,n-dimethylbutylamine, 4,4-diethoxy-n,n-dimethyl butylamine, 4,4-diethoxy-n,n-dimethylbutan-1-amine
Molecular Formula
C10H23NO2
Molecular Weight
189.299  g/mol
InChI Key
QKXMWBLNSPNBEY-UHFFFAOYSA-N

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 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1116-77-4

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

3. 4,4-diethoxy-n,n-dimethylbutanamine

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

5. 4,4-diethoxy-n,n-dimethyl Butylamine

6. 4,4-diethoxy-n,n-dimethylbutan-1-amine

7. 4-(n,n-dimethylamino)butanal Diethyl Acetal

8. Qkxmwblnspnbey-uhfffaoysa-n

9. Mfcd00671479

10. 4,4-diethoxy-n, N-dimethyl-butylamine

11. Ak-41268

12. 4,4-diethoxy-n,n-dimethyl-butan-1-amine

13. 4-dimethylaminobutyraldehyde Diethyl Acetal

14. N,n-dimethyl-4-aminobutanal Diethyl Acetal

15. 1-butanamine, 4,4-diethoxy-n,n-dimethyl-

16. 4-(dimethylamino)butyraldehyde Diethyl Acetal

17. Q-101941

18. Pubchem20793

19. 4-dimethylaminobutyraldehyde Diethylacetal

20. Ac1lc3bp

21. Acmc-1c8hb

22. Ksc174m6h

23. Schembl823290

24. Jsp000876

25. Ctk0h4663

26. Dtxsid50338168

27. Molport-003-938-228

28. 4-dimethylaminobutanal Diethylacetal

29. Act04416

30. Ks-00000io1

31. Zinc2567269

32. 4-dimethylaminobutanal Diethyl Acetal

33. Anw-16306

34. Akos015908664

35. 4-dimethylamino Butanal Diethyl Acetal

36. Ac-2019

37. Ls41115

38. Mcule-5379381941

39. 4-(dimethylamino) Butanal Diethylacetal

40. (4,4-diethoxybutyl)dimethylamine

41. 1-butanamine 4,4-diethoxy-n,n-dimethyl

42. Acm111666774

43. Aj-41381

44. An-14379

45. As-13097

46. H318

47. Kb-71791

48. Lp049739

49. N, N-dimethyl-4,4-diethoxy-1-butanamine

50. Or003385

51. Sc-19083

52. U172

53. 4,4-diethoxy-n,n-dimethyl-1-butanamine;

54. 1-(n,n-dimethylamino)-4,4-diethoxybutane

55. 4,4-diethoxy-n,n-dimethyl-1-butanamine #

56. 4-dimethylamino Butyraldehyde Diethyl Acetal

57. Ax8017537

58. Db-028632

59. Rt-002132

60. Tl8000343

61. 4-(dimethylamino)-butyraldehyde Diethylacetal

62. 4ch-009460

63. D3973

64. Ft-0654014

65. Ft-0654496

66. J1131

67. St24028671

68. St50825306

69. Z-4807

70. 4-(n,n-dimethylamino)butyaldehyde Diethyl Acetal

71. A802394

72. I14-3444

73. I14-8235

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

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 189.299 g/mol
Molecular Formula C10H23NO2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass189.173 g/mol
Monoisotopic Mass189.173 g/mol
Topological Polar Surface Area21.7 A^2
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
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