CAS 4276-09-9

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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

CAS 4276-09-9

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 Formula	C₅H₁₃NO
Molecular Weight	103.16 g/mol
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	46.2
Heavy Atom Count	7
Formal Charge	0
Complexity	45.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1