CAS 31140-42-8

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Also known as: 31140-42-8, Tert-butyl n-(2,6-dioxopiperidin-3-yl)carbamate, Tert-butyl (2,6-dioxopiperidin-3-yl)carbamate, Mfcd08275101, Tert-butyl 2,6-dioxopiperidin-3-ylcarbamate, Pomalidomide impurity 10

Molecular Formula

C₁₀H₁₆N₂O₄

Molecular Weight

228.24 g/mol

InChI Key

TUGRLMXVKASPTN-UHFFFAOYSA-N

1 2D Structure

CAS 31140-42-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-(2,6-dioxopiperidin-3-yl)carbamate

2.1.2 InChI

InChI=1S/C10H16N2O4/c1-10(2,3)16-9(15)11-6-4-5-7(13)12-8(6)14/h6H,4-5H2,1-3H3,(H,11,15)(H,12,13,14)

2.1.3 InChI Key

TUGRLMXVKASPTN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC1CCC(=O)NC1=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 31140-42-8

2. Tert-butyl N-(2,6-dioxopiperidin-3-yl)carbamate

3. Tert-butyl (2,6-dioxopiperidin-3-yl)carbamate

4. Mfcd08275101

5. Tert-butyl 2,6-dioxopiperidin-3-ylcarbamate

6. Pomalidomide Impurity 10

7. Tert-butyl N-(2,6-dioxo-3-piperidyl)carbamate

8. Schembl2176628

9. Dtxsid10953235

10. Tugrlmxvkasptn-uhfffaoysa-n

11. Bcp17754

12. Bga36792

13. Carbamic Acid, (2,6-dioxo-3-piperidinyl)-, 1,1-dimethylethyl Ester

14. Mfcd24465586

15. Akos015152167

16. Ab44751

17. Ab88561

18. Ab89218

19. Cs-o-13985

20. (s)-3-(boc-amino)piperidine-2,6-dione

21. Ac-29735

22. Ds-11389

23. Sy292543

24. Cs-0036724

25. Ft-0659617

26. 2,6-dioxo-3-(t-butoxycarbonylamino)piperidine

27. W12030

28. 2,6-dioxo-3-(t-butoxycarbonylamino)-piperidine

29. 3-(tert-butoxycarbonylamino)-2,6-piperidinedione

30. Tert-butyl Hydrogen (6-hydroxy-2-oxo-2,3,4,5-tetrahydropyridin-3-yl)carbonimidate

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₆N₂O₄
Molecular Weight	228.24 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	84.5
Heavy Atom Count	16
Formal Charge	0
Complexity	319
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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