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Chemistry

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Also known as: 5856-62-2, (s)-(+)-2-amino-1-butanol, (2s)-2-aminobutan-1-ol, (+)-2-amino-1-butanol, 98jem4yebr, Einecs 227-475-9
Molecular Formula
C4H11NO
Molecular Weight
89.14  g/mol
InChI Key
JCBPETKZIGVZRE-BYPYZUCNSA-N
FDA UNII
98JEM4YEBR

CAS 5856-62-2
1 2D Structure

CAS 5856-62-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-aminobutan-1-ol
2.1.2 InChI
InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1
2.1.3 InChI Key
JCBPETKZIGVZRE-BYPYZUCNSA-N
2.2 Other Identifiers
2.2.1 UNII
98JEM4YEBR
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 5856-62-2

2. (s)-(+)-2-amino-1-butanol

3. (2s)-2-aminobutan-1-ol

4. (+)-2-amino-1-butanol

5. 98jem4yebr

6. Einecs 227-475-9

7. (+)-2-aminobutanol

8. L-(+)-2-aminobutanol

9. [s]-(+)-2-amino-1-butanol

10. Refchem:463253

11. 227-475-9

12. (s)-2-aminobutan-1-ol

13. Mfcd00064418

14. L-2-aminobutanol

15. (s)-2-amino-1-butanol

16. 1-butanol, 2-amino-, (2s)-

17. (s)-2-aminobutanol

18. Unii-98jem4yebr

19. (s)-2-amino-butanol

20. 2-(s)-amino-1-butanol

21. D-(+)2-amino-1-butanol

22. (s)-(+)-2-aminobutanol

23. (s)-2-amino-butan-1-ol

24. Schembl81291

25. S-(+)-2-amino-1-butanol

26. Schembl752513

27. D-2-amino-1-butanol

28. Schembl7599107

29. 1-butanol,2-amino-,(2s)-

30. Schembl28248691

31. (s)-(+)-2-aminobutan-1-ol

32. (s)-(-)-2-amino-1-butanol

33. Dtxsid201367538

34. (s)-2-amino-1-butanol, 99%

35. Str08112

36. Ebc-04362

37. Akos006340930

38. Akos015854122

39. Cs-w013745

40. Bp-12971

41. (s)-(+)-2-amino-1-butanol, >=98%

42. A0973

43. En300-157897

44. F14569

45. F012704

46. Q27272119

47. Z1203162358

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 89.14 g/mol
Molecular Formula C4H11NO
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area46.3
Heavy Atom Count6
Formal Charge0
Complexity30.7
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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