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CAS 149463-65-0
PharmaCompass
CAS 149463-65-0
Also known as: 149463-65-0, 4-(4-pyridinyl)butyl chloride hydrochloride, 4-(4-chlorobutyl)pyridine hcl, Pyridine, 4-(4-chlorobutyl)-, hydrochloride, 4-(4-pyridinyl)butyl chloride hydrochloride salt, Tirofiban impurity b hcl
Molecular Formula
C9H13Cl2N
Molecular Weight
206.11  g/mol
InChI Key
CIPSBYICMDRGKQ-UHFFFAOYSA-N

1 2D Structure

CAS 149463-65-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(4-chlorobutyl)pyridine;hydrochloride
2.1.2 InChI
InChI=1S/C9H12ClN.ClH/c10-6-2-1-3-9-4-7-11-8-5-9;/h4-5,7-8H,1-3,6H2;1H
2.1.3 InChI Key
CIPSBYICMDRGKQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CN=CC=C1CCCCCl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 149463-65-0

2. 4-(4-pyridinyl)butyl Chloride Hydrochloride

3. 4-(4-chlorobutyl)pyridine Hcl

4. Pyridine, 4-(4-chlorobutyl)-, Hydrochloride

5. 4-(4-pyridinyl)butyl Chloride Hydrochloride Salt

6. Tirofiban Impurity B Hcl

7. Schembl2892360

8. Ctk8b8438

9. Dtxsid60599703

10. Cipsbyicmdrgkq-uhfffaoysa-n

11. Molport-023-331-369

12. Act04426

13. Ks-00000q5v

14. 7448aa

15. Abp001052

16. Anw-60364

17. Mfcd09952022

18. Akos015891846

19. 4-(4-chlorobutyl)pyridinehydrochloride

20. Ls21209

21. 4-(4-pyridinyl)butyl Chloride Hcl Salt

22. Ac-27062

23. Ak101244

24. Bc261689

25. Kb-71587

26. Lp052598

27. Ax8232783

28. Db-063808

29. Tc-149109

30. Ft-0752479

31. St24042939

32. I02-2579

33. 4-(4-chlorobutyl)pyridine--hydrogen Chloride (1/1)

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 206.11 g/mol
Molecular Formula C9H13Cl2N
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass205.043 g/mol
Monoisotopic Mass205.043 g/mol
Topological Polar Surface Area12.9 A^2
Heavy Atom Count12
Formal Charge0
Complexity89.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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