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2D Structure
Also known as: 30315-46-9, (s)-3-tert-butylamino-1,2-propanediol, (2s)-3-(tert-butylamino)propane-1,2-diol, (s)-(-)-3-tert-butylamino-1,2-propanediol, (s)-(-)-3-(t-butylamino)-1,2-propanediol, Zuw27bjs8s
Molecular Formula
C7H17NO2
Molecular Weight
147.22  g/mol
InChI Key
JWBMVCAZXJMSOX-LURJTMIESA-N
FDA UNII
ZUW27BJS8S

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-3-(tert-butylamino)propane-1,2-diol
2.1.2 InChI
InChI=1S/C7H17NO2/c1-7(2,3)8-4-6(10)5-9/h6,8-10H,4-5H2,1-3H3/t6-/m0/s1
2.1.3 InChI Key
JWBMVCAZXJMSOX-LURJTMIESA-N
2.1.4 Canonical SMILES
CC(C)(C)NCC(CO)O
2.1.5 Isomeric SMILES
CC(C)(C)NC[C@@H](CO)O
2.2 Other Identifiers
2.2.1 UNII
ZUW27BJS8S
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 30315-46-9

2. (s)-3-tert-butylamino-1,2-propanediol

3. (2s)-3-(tert-butylamino)propane-1,2-diol

4. (s)-(-)-3-tert-butylamino-1,2-propanediol

5. (s)-(-)-3-(t-butylamino)-1,2-propanediol

6. Zuw27bjs8s

7. (s)-1-tert-butylamino-2,3-propanediol

8. 1,2-propanediol, 3-[(1,1-dimethylethyl)amino]-, (2s)-

9. 1-tert-butylamino-2,3-propanediol, (s)-

10. (s)-3-(tert-butylamino)-1,2-propanediol

11. Einecs 250-125-1

12. 1,2-propanediol, 3-((1,1-dimethylethyl)amino)-, (2s)-

13. Mfcd00190165

14. 1,2-propanediol, 3-[(1,1-dimethylethyl)amino]-, (s)-

15. Unii-zuw27bjs8s

16. S-(-)-3-(3-tert-butylamino)-1,2-propanediol

17. Schembl283339

18. Jwbmvcazxjmsox-lurjtmiesa-

19. Dtxsid301233287

20. Akos015838030

21. Ac-8486

22. Cs-w018205

23. Ac-32128

24. As-69282

25. (s)-(-)3-tert-butylamino-1,2-propanediol

26. (s)-1-tert.butylamino-2,3-dihydroxypropane

27. B1987

28. Ns00050282

29. (s)-1-tert.butylamino-2,3-dihydroxy-propane

30. D70110

31. En300-6238147

32. A820318

33. 1-tert-butylamino-2,3-propanediol, (-)-

34. W-106951

35. (2s)-3-[(1,1-dimethylethyl)amino]-1,2-propanediol

36. (2s)-3-[(1,1-dimethylethyl)amino]propane-1,2-diol

37. (s)-(-)-3-tert-butylamino-1,2-propanediol, 97%

38. Inchi=1/c7h17no2/c1-7(2,3)8-4-6(10)5-9/h6,8-10h,4-5h2,1-3h3/t6-/m0/s1

39. Tert-butyl-[(2s)-2,3-dihydroxypropyl]ammonium;(s)-3-(tert-butylamino)-1,2-propanediol

40. 1,2-propanediol, 3-[(1,1-dimethylethyl)amino]-, (2s)-; 1,2-propanediol, 3-(tert-butylamino)-, (s)-(-)- (8ci); 1,2-propanediol, 3-[(1,1-dimethylethyl)amino]-, (s)-; (s)-1-tert-butylamino-2,3-propanediol; (s)-3-(tert-butylamino)-1,2-propanediol

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 147.22 g/mol
Molecular Formula C7H17NO2
XLogP3-0.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area52.5
Heavy Atom Count10
Formal Charge0
Complexity88.1
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1