CAS 73963-42-5

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3 Suppliers, 3 End Use APIs, 8 Related Intermediates

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3 End Use APIs
8 Related Intermediates

Chemistry

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Also known as: 73963-42-5, 1-cyclohexyl-5-(4-chlorobutyl)-1h-tetrazole, 5-(4-chlorobutyl)-1-cyclohexyltetrazole, 5-(4-chlorobutyl)-1-cyclohexanyl tetrazole, 1h-tetrazole, 5-(4-chlorobutyl)-1-cyclohexyl-, 5-(4-chlorobuty)-1-cyclohexyl tetrazol

Molecular Formula

C₁₁H₁₉ClN₄

Molecular Weight

242.75 g/mol

InChI Key

INTQSGGUSUSCTJ-UHFFFAOYSA-N

1 2D Structure

CAS 73963-42-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(4-chlorobutyl)-1-cyclohexyltetrazole

2.1.2 InChI

InChI=1S/C11H19ClN4/c12-9-5-4-8-11-13-14-15-16(11)10-6-2-1-3-7-10/h10H,1-9H2

2.1.3 InChI Key

INTQSGGUSUSCTJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCC(CC1)N2C(=NN=N2)CCCCCl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 73963-42-5

2. 1-cyclohexyl-5-(4-chlorobutyl)-1h-tetrazole

3. 5-(4-chlorobutyl)-1-cyclohexyltetrazole

4. 5-(4-chlorobutyl)-1-cyclohexanyl Tetrazole

5. 1h-tetrazole, 5-(4-chlorobutyl)-1-cyclohexyl-

6. 5-(4-chlorobuty)-1-cyclohexyl Tetrazol

7. 5-(4-chlorobuty)-1-cyclohexyl Tetrazole

8. 5-(4-chlorobutyl)-1-cyclohexyl-tetrazole

9. 1-cyclohexyl-5-(4-chlorobutyl)tetrazole

10. Ec 616-036-0

11. Schembl1031402

12. Dtxsid20459132

13. Amy13545

14. Zinc2572703

15. Mfcd01076191

16. Akos015850585

17. Ac-4335

18. Am90306

19. As-12402

20. 1-cyclohexyl-5-(4-chlorobutyl) Tetrazole

21. 1-cyclohexyl-5-(4-chlorobutyl)-tetrazole

22. Db-019141

23. 5-(4chlorobutyl)-1-cyclohexyl-1h-tetrazole

24. Cs-0210299

25. Ft-0664587

26. D87626

27. 963c425

28. A837981

29. J-516221

30. 1-cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole

31. 5-(4-chlorobutyl)-1-cyclohexyl-1h-1,2,3,4-tetrazole

32. 5-(4-chlorobuty)-1-cyclohexyl;6-hydroxy-3 Pound Not4-dihydroquinolone

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₉ClN₄
Molecular Weight	242.75 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	242.1298243 g/mol
Monoisotopic Mass	242.1298243 g/mol
Topological Polar Surface Area	43.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	196
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