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Also known as: 571189-16-7, 1-boc-4-(6-nitro-3-pyridyl)piperazine, 1-boc-4-(6-nitropyridin-3-yl)piperazine, 4-(6-nitro-pyridin-3-yl)-piperazine-1-carboxylic acid tert-butyl ester, Mfcd11849291, 1-piperazinecarboxylic acid, 4-(6-nitro-3-pyridinyl)-, 1,1-dimethylethyl ester
Molecular Formula
C14H20N4O4
Molecular Weight
308.33  g/mol
InChI Key
SUWKOEMQNOBJEQ-UHFFFAOYSA-N

CAS 571189-16-7
1 2D Structure

CAS 571189-16-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate
2.1.2 InChI
InChI=1S/C14H20N4O4/c1-14(2,3)22-13(19)17-8-6-16(7-9-17)11-4-5-12(15-10-11)18(20)21/h4-5,10H,6-9H2,1-3H3
2.1.3 InChI Key
SUWKOEMQNOBJEQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 571189-16-7

2. 1-boc-4-(6-nitro-3-pyridyl)piperazine

3. 1-boc-4-(6-nitropyridin-3-yl)piperazine

4. 4-(6-nitro-pyridin-3-yl)-piperazine-1-carboxylic Acid Tert-butyl Ester

5. Mfcd11849291

6. 1-piperazinecarboxylic Acid, 4-(6-nitro-3-pyridinyl)-, 1,1-dimethylethyl Ester

7. Ec 801-163-8

8. Schembl1392727

9. Schembl17525877

10. Amy1839

11. Dtxsid00459953

12. Suwkoemqnobjeq-uhfffaoysa-n

13. Bcp11900

14. Cs-b0331

15. Akos009103755

16. Ab91571

17. Ac-31707

18. Ds-17740

19. Sy056804

20. 1-boc-4-(6-nitro-pyridin-3-yl)-piperazine

21. Ft-0697064

22. En300-178893

23. A869755

24. Tert-butyl 4-(6-nitropyridin-3-yl)piperazine-carboxylate

25. Tert-butyl4-(6-nitropyridin-3-yl)piperazine-1-carboxylate

26. Tert.-butyl 4-(6-nitro-3-pyridinyl)-1-piperazinecarboxylate

27. 4-(6-nitro-pyridin-3-yl)-piperazine-1-carboxylic Acid Tert-butyl Ester;

28. 4-(6-nitropyridin-3-yl)piperazine-1-carboxylic Acid Tert-butyl Ester

29. 1-piperazinecarboxylic Acid,4-(6-nitro-3-pyridinyl)-,1,1-dimethylethyl Ester

30. 4-(6-nitro-3-pyridinyl)-1-piperazinecarboxylic Acid, 1,1-dimethylethyl Ester

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 308.33 g/mol
Molecular Formula C14H20N4O4
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area91.5
Heavy Atom Count22
Formal Charge0
Complexity410
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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ChemExpress

China
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Virtual BoothChemExpress delivers end-to-end CRO & CDMO solutions for small molecules, biologics & new modalities with ICH-grade quality.

571189-16-7

CAS Number : 571189-16-7

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About the Company : Founded in 2006, ChemExpress specializes in offering CRO & CDMO services for pharmaceutical and biotech companies, focusing on small molecules, biologics and new modalities such as ADCs...

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CPHI Shenzhen
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1-BOC- 4-(6-NITRO-3-PYRIDYL)PIPERAZINE

CAS Number : 571189-16-7

End Use API :

About the Company : Founded with a mission to transform strategic capital into specialty chemicals, Ami Group focuses on Agrochemicals, Cosmetics, and Polymers. Ami Organics Ltd. is committed to meeting yo...

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