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2D Structure
Also known as: 4276-09-9, (r)-(-)-2-amino-3-methyl-1-butanol, (2r)-2-amino-3-methylbutan-1-ol, (r)-2-amino-3-methylbutan-1-ol, (r)-2-amino-3-methyl-1-butanol, (r)-valinol
Molecular Formula
C5H13NO
Molecular Weight
103.16  g/mol
InChI Key
NWYYWIJOWOLJNR-YFKPBYRVSA-N
FDA UNII
829QNS6ERZ

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-2-amino-3-methylbutan-1-ol
2.1.2 InChI
InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m0/s1
2.1.3 InChI Key
NWYYWIJOWOLJNR-YFKPBYRVSA-N
2.1.4 Canonical SMILES
CC(C)C(CO)N
2.1.5 Isomeric SMILES
CC(C)[C@H](CO)N
2.2 Other Identifiers
2.2.1 UNII
829QNS6ERZ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 4276-09-9

2. (r)-(-)-2-amino-3-methyl-1-butanol

3. (2r)-2-amino-3-methylbutan-1-ol

4. (r)-2-amino-3-methylbutan-1-ol

5. (r)-2-amino-3-methyl-1-butanol

6. (r)-valinol

7. (r)-2-amino-3-methyl-butan-1-ol

8. Mfcd00064297

9. (2r)-2-amino-3-methyl-1-butanol

10. 1-butanol, 2-amino-3-methyl-, (r)-

11. H-d-val-ol

12. D-2-amino-3-methyl-1-butanol

13. Valinol, D-

14. (-)-valinol

15. (1r)-1-isopropyl-2-hydroxyethylamine

16. (r)-(-)-valinol

17. 829qns6erz

18. Schembl82571

19. 2-amino-3-methyl-1-butanol #

20. D-(-)-valinol ((r)-(-)-2-amino-3-methyl-1-butanol)

21. Dtxsid80426204

22. (-)-2-amino-3-methyl-1-butanol

23. Cs-d0610

24. 1-butanol, 2-amino-3-methyl-, D-

25. Akos005259795

26. Ac-13953

27. As-12364

28. Hy-30167

29. (r)-(-)-2-amino-3-methyl-butan-1-ol

30. 1-butanol, 2-amino-3-methyl-, (2r)-

31. Am20100129

32. V0077

33. [(r)-1-(hydroxymethyl)-2-methylpropyl]amine

34. En300-98065

35. (r)-(-)-2-amino-3-methyl-1-butanol, 98%

36. A826002

37. Q-102724

38. Q-200023

39. D-valinol, Purum, >=96.0% (sum Of Enantiomers, Gc)

40. (2r)-2-amino-3-methyl-butan-1-ol;(r)-(-)-2-amino-3-methyl-1-butanol

2.4 Create Date
2006-07-28
3 Chemical and Physical Properties
Molecular Weight 103.16 g/mol
Molecular Formula C5H13NO
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area46.2
Heavy Atom Count7
Formal Charge0
Complexity45.3
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1