674792-08-6

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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Also known as: 674792-08-6, Tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate, 4,7-diaza-spiro[2.5]octane-4-carboxylic acid tert-butyl ester, Mfcd08685932, Tert-butyl 5,8-diazaspiro[2.5]octane-8-carboxylate, 4,7-diazaspiro[2.5]octane-4-carboxylic acid tert-butyl ester

Molecular Formula

C₁₁H₂₀N₂O₂

Molecular Weight

212.29 g/mol

InChI Key

XNLYPHAMXHERHS-UHFFFAOYSA-N

1 2D Structure

674792-08-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate

2.1.2 InChI

InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-7-6-12-8-11(13)4-5-11/h12H,4-8H2,1-3H3

2.1.3 InChI Key

XNLYPHAMXHERHS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1CCNCC12CC2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 674792-08-6

2. Tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate

3. 4,7-diaza-spiro[2.5]octane-4-carboxylic Acid Tert-butyl Ester

4. Mfcd08685932

5. Tert-butyl 5,8-diazaspiro[2.5]octane-8-carboxylate

6. 4,7-diazaspiro[2.5]octane-4-carboxylic Acid Tert-butyl Ester

7. 4-boc-4,7-diaza-spiro[2.5]octane

8. 4,7-diazaspiro[2.5]octane-4-carboxylic Acid, 1,1-dimethylethyl Ester

9. Schembl1044272

10. Dtxsid70680030

11. Xnlyphamxherhs-uhfffaoysa-n

12. Amy14491

13. Bcp09977

14. Cs-d0760

15. Akos016001373

16. Pb31304

17. Ds-15308

18. Sy025332

19. Ft-0708128

20. En300-1223524

21. A867260

22. F2147-3242

23. Z1505713407

24. Diaza-spiro[2.5]octane-4-carboxylic Acid Tert-butyl Ester

2.3 Create Date

2011-05-17

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₂₀N₂O₂
Molecular Weight	212.29 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	41.6
Heavy Atom Count	15
Formal Charge	0
Complexity	266
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1