CAS 198904-85-7

Chemistry, 4 End Use API, 23 Related Intermediates

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Also known as: 198904-85-7, 1-boc-2-[4-(2-pyridinyl)benzylidene]hydrazine, Hydrazinecarboxylic acid, 2-[[4-(2-pyridinyl)phenyl]methyl]-, 1,1-dimethylethyl ester, Tert-butyl n-[(4-pyridin-2-ylphenyl)methylamino]carbamate, Atazanavir impurity b, Schembl6692

Molecular Formula

C₁₇H₂₁N₃O₂

Molecular Weight

299.37 g/mol

InChI Key

GIMJTKJSKPENNG-UHFFFAOYSA-N

1 2D Structure

CAS 198904-85-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(4-pyridin-2-ylphenyl)methylamino]carbamate

2.1.2 InChI

InChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)20-19-12-13-7-9-14(10-8-13)15-6-4-5-11-18-15/h4-11,19H,12H2,1-3H3,(H,20,21)

2.1.3 InChI Key

GIMJTKJSKPENNG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NNCC1=CC=C(C=C1)C2=CC=CC=N2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 198904-85-7

2. 1-boc-2-[4-(2-pyridinyl)benzylidene]hydrazine

3. Hydrazinecarboxylic Acid, 2-[[4-(2-pyridinyl)phenyl]methyl]-, 1,1-dimethylethyl Ester

4. Tert-butyl N-[(4-pyridin-2-ylphenyl)methylamino]carbamate

5. Atazanavir Impurity B

6. Schembl6692

7. Dtxsid40430867

8. T-butyl-2-[4-(pyridin-2-yl)benzyl] Hydrazine Carboxylate

9. Tert-butyl 2-(4-(pyridin-2-yl)benzyl)hydrazine Carboxylate

10. Tert-butyl 2-(4-(pyridin-2-yl)benzyl)hydrazine-1-carboxylate

11. Act06767

12. Bcp28313

13. Mfcd04035550

14. Zinc21301403

15. Akos015908769

16. Am84683

17. Hydrazinecarboxylicacid,2-[[4-(2-pyridinyl)phenyl]methyl]-,1,1-dimethylethylester

18. As-15477

19. 2-[4-(2-pyridyl)benzyl]- Boc-hydrazine

20. Db-049839

21. Cs-0141577

22. Ft-0657986

23. A51031

24. Tert-butyl3-[4-(pyridin-2-yl)benzyl]carbazate

25. 904b857

26. J-012848

27. 3-[4-(2-pyridyl)benzyl]carbazic Acid Tert-butyl Ester

28. Tert-butyl 2-[4-(2-pyridinyl)benzyl]hydrazinecarboxylate

29. Tert-butyl2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate

30. N'-(4-pyridin-2-yl-benzyl)-hydrazinecarboxylic Acid Tert-butyl Ester

31. Tert-butyl 2-{[4-(pyridin-2-yl)phenyl]methyl}hydrazine-1-carboxylate

32. Hydrazinecarboxylic Acid,2-[[4-(2-pyridinyl)phenyl]methyl]-,1,1-dimethylethyl Ester

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₁N₃O₂
Molecular Weight	299.37 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	299.16337692 g/mol
Monoisotopic Mass	299.16337692 g/mol
Topological Polar Surface Area	63.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	346
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

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Nanjing Clasien Pharmaceutical & Ch...

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CAS Number

198904-85-7

End Use API

Atazanavir

About the Company

Nanjing Clasien Pharmaceutical & Chemical Co., Ltd. is a high-tech enterprise located in Nanjing, the pro...

Nanjing Clasien Pharmaceutical & Chemical Co., Ltd. is a high-tech enterprise located in Nanjing, the provincial capital of Jiangsu Province, with excellent location and convenient transportation. We are mainly engaged in R & D, production and sales of new drugs, Pesticide and other fine chemicals. We have two R&D centers and a modern production base, can develop and produce new chemical products ranging from kilograms to tons.

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Octane Laboratories

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CAS Number

198904-85-7

End Use API

Atazanavir

About the Company

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

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Survival Technologies Pvt. Ltd.

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1-BOC-2-[4-(2-PYRIDINYL)BENZYLIDENE]HYDRAZINE (BOCHYDRA...

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CAS Number

198904-85-7

End Use API

Atazanavir

About the Company

SURVIVAL is one of the leading manufacturers in the field of Fine and Specialty Chemicals actively involv...

SURVIVAL is one of the leading manufacturers in the field of Fine and Specialty Chemicals actively involved in CRAMS, Custom Synthesis & Bulk Production offering new generation products in complex chemistry to Pharmaceutical, Agrochemical and Petrochemical companies. It has a very strong R&D set up & we can assure fast turn around in Synthsizing molecules. With our deep understanding of science and chemistry, we are into functional chemistry, custom synthesis and contract manufacturing catering to many reputed Indian and overseas customers.

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