CAS 13325-10-5

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2 End Use APIs
13 Related Intermediates

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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

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 Formula	C₄H₁₁NO
Molecular Weight	89.14 g/mol
XLogP3	-1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	89.084063974 g/mol
Monoisotopic Mass	89.084063974 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	23.5
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