CAS 4048-33-3

Chemistry

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

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 Formula	C₆H₁₅NO
Molecular Weight	117.19 g/mol
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	117.115364102 g/mol
Monoisotopic Mass	117.115364102 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	39.5
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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CAS 4048-33-3

CAS 4048-33-3

Chemistry

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