CAS 198904-85-7

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24 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