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Chemistry

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Also known as: 6-aminohexan-1-ol, 4048-33-3, 1-hexanol, 6-amino-, 6-aminohexanol, 1-amino-6-hexanol, 6-hydroxyhexylamine
Molecular Formula
C6H15NO
Molecular Weight
117.19  g/mol
InChI Key
SUTWPJHCRAITLU-UHFFFAOYSA-N
FDA UNII
I5BY7TMO6C

CAS 4048-33-3
1 2D Structure

CAS 4048-33-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-aminohexan-1-ol
2.1.2 InChI
InChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2
2.1.3 InChI Key
SUTWPJHCRAITLU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CCCO)CCN
2.2 Other Identifiers
2.2.1 UNII
I5BY7TMO6C
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 6-aminohexan-1-ol

2. 4048-33-3

3. 1-hexanol, 6-amino-

4. 6-aminohexanol

5. 1-amino-6-hexanol

6. 6-hydroxyhexylamine

7. Aminohexyl Alcohol

8. Hexanol, 6-amino-

9. Amidohexylalkohol

10. 6-aminohexyl Alcohol

11. Mfcd00008241

12. Nsc 91538

13. 6-amino-hexan-1-ol

14. I5by7tmo6c

15. Nsc-91538

16. Amidohexylalkohol [german]

17. 6-hydroxy-1-hexylamine

18. Einecs 223-748-1

19. Brn 1732524

20. 6-hexanolamine

21. 6 -aminohexanol

22. 6-amino Hexanol

23. Aminohexan-6-ol

24. Nsc91538

25. 1-amino-6-hydroxyhexane

26. Unii-i5by7tmo6c

27. Schembl16441

28. 4-04-00-01785 (beilstein Handbook Reference)

29. 6-amino-1-hexanol, 97%

30. Nh2(ch2)6oh

31. H2nch2(ch2)4ch2oh

32. 6-hydroxy-1-hexanamine

33. Dtxsid9075242

34. Act03094

35. Amy18359

36. Str06991

37. Zinc1592422

38. Bbl103013

39. Stl556822

40. Akos002670881

41. Cs-w007957

42. 1189994-89-5

43. Bp-20654

44. Bp-31169

45. Sy003099

46. Db-049599

47. Bb 0253240

48. Ft-0620902

49. Rac 5-hydroxy Valproic Acid-d7 Sodium Salt

50. 6-amino-1-hexanol, Purum, >=97.0% (nt)

51. A825127

52. J-518246

53. Q27456295

54. F2191-0273

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 117.19 g/mol
Molecular Formula C6H15NO
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass117.115364102 g/mol
Monoisotopic Mass117.115364102 g/mol
Topological Polar Surface Area46.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity39.5
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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