CAS 149463-65-0

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Chemistry

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Also known as: 149463-65-0, 4-(4-pyridinyl)butyl chloride hydrochloride, 4-(4-chlorobutyl)pyridine hcl, 4-(4-chlorobutyl)pyridine;hydrochloride, Pyridine, 4-(4-chlorobutyl)-, hydrochloride, Mfcd09952022

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. 4-(4-chlorobutyl)pyridine;hydrochloride

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

6. Mfcd09952022

7. 4-(4-chlorobutyl)pyridinehydrochloride

8. 4-(4-chlorobutyl)pyridine,hydrochloride

9. 4-(4-pyridinyl)butyl Chloride Hydrochloride Salt

10. Pyridine, 4-(4-chlorobutyl)-, Hydrochloride (1:1)

11. Schembl2892360

12. Dtxsid60599703

13. Act04426

14. Bcp12323

15. Akos015891846

16. 4-(4-pyridinyl)butyl Chloride Hcl Salt

17. Ac-27062

18. As-36956

19. Sy226263

20. Db-063808

21. Cs-0158366

22. Ft-0752479

23. A884273

24. 4-(4-chlorobutyl)pyridine--hydrogen Chloride (1/1)

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₃Cl₂N
Molecular Weight	206.11 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	205.0425048 g/mol
Monoisotopic Mass	205.0425048 g/mol
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	89.6
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	2