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Also known as: 4-aminobutan-1-ol, 13325-10-5, 4-aminobutanol, 1-butanol, 4-amino-, 4-hdyroxybutylamine, 4-amino-butan-1-ol
Molecular Formula
C4H11NO
Molecular Weight
89.14  g/mol
InChI Key
BLFRQYKZFKYQLO-UHFFFAOYSA-N

CAS 13325-10-5
1 2D Structure

CAS 13325-10-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-aminobutan-1-ol
2.1.2 InChI
InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2
2.1.3 InChI Key
BLFRQYKZFKYQLO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CCO)CN
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 4-aminobutanol

2.2.2 Depositor-Supplied Synonyms

1. 4-aminobutan-1-ol

2. 13325-10-5

3. 4-aminobutanol

4. 1-butanol, 4-amino-

5. 4-hdyroxybutylamine

6. 4-amino-butan-1-ol

7. 4-hydroxybutylamine

8. Mfcd00008230

9. Butanolamine

10. 4-amino Butanol

11. 4-amino-butanol

12. 4amino-1-butanol

13. 4-aminobutanol-1

14. Einecs 236-364-4

15. 4-amino 1-butanol

16. 4-aminobutyl Alcohol

17. 4-hydroxy-butylamine

18. H-abut(4)-ol

19. 4-amino-butan-1-o1

20. 2-(aminoethyl)-ethanol

21. 1-amino-4-hydroxybutane

22. Ai3-28710

23. N-(4-hydroxybutyl)amine

24. 2-(2-aminoethyl)ethanol

25. 4-amino-1-butanol, 98%

26. H2n(ch2)4oh

27. Nh2(ch2)4oh

28. H2nch2(ch2)2ch2oh

29. Dtxsid70158027

30. Act08231

31. Amy17788

32. Bcp18612

33. Zinc2019709

34. Ac-034

35. Bbl102556

36. Stl556359

37. Akos002670517

38. Cs-w002041

39. Gs-3086

40. Sb83786

41. Bp-30241

42. Bp-31085

43. Sy001196

44. Ft-0617430

45. Ft-0617431

46. 325a105

47. A806583

48. Q63392130

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 89.14 g/mol
Molecular Formula C4H11NO
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass89.084063974 g/mol
Monoisotopic Mass89.084063974 g/mol
Topological Polar Surface Area46.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity23.5
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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