1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate

2.1.2 InChI

InChI=1S/C9H19NO3/c1-5-7(6-11)10-8(12)13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m0/s1

2.1.3 InChI Key

LQRGWGOFPUXNOV-ZETCQYMHSA-N

2.1.4 Canonical SMILES

CCC(CO)NC(=O)OC(C)(C)C

2.1.5 Isomeric SMILES

CC[C@@H](CO)NC(=O)OC(C)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 150736-72-4

2. (s)-tert-butyl (1-hydroxybutan-2-yl)carbamate

3. Tert-butyl N-[(2s)-1-hydroxybutan-2-yl]carbamate

4. N-boc-(s)-2-amino-1-butanol

5. (s)-tert-butyl(1-hydroxybutan-2-yl)carbamate

6. Carbamic Acid, N-[(1s)-1-(hydroxymethyl)propyl]-, 1,1-dimethylethyl Ester

7. N-boc-(s)-2-amino-1-butanol, 96per Cent

8. Mfcd04974275

9. Schembl102361

10. Dtxsid40460467

11. Lqrgwgofpuxnov-zetcqymhsa-n

12. Akos016008017

13. N-boc-(s)-(+)-2-amino-1-butanol

14. As-43353

15. T-butyl (s)-(1-hydroxybutan2-yl)carbamate

16. (s)-tert-butyl 1-hydroxybutan-2-ylcarbamate

17. (s)-tert-butyl-1-hydroxybutan-2-ylcarbamate

18. Cs-0153911

19. (5)-tert-butyl 1-hydroxybutan-2-ylcarbamate

20. N-boc-(s)-(-)-2-amino-1-butanol, 96%

21. En300-306639

22. N-boc-(s)-2-amino-1-butanol, 96%

23. Tert-butyl[(1s)-1-(hydroxymethyl)propyl]carbamate

24. J-008734

25. (s)-tert-butyl (1-hydroxybutan-2-yl)carbamate, 95%

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₉NO₃
Molecular Weight	189.25 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	58.6
Heavy Atom Count	13
Formal Charge	0
Complexity	163
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

CAS 150736-72-4

CAS 150736-72-4

CHEMISTRY

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