CAS 56824-22-7

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Also known as: 56824-22-7, 2-(2-chloroethyl)-n-methyl-pyrrolidine hydrochloride, 2-(2-chloroethyl)-1-methylpyrrolidine hcl, 2-(2-chloroethyl)-1-methylpyrrolidine;hydrochloride, Einecs 260-395-2, 2-(2-chloroethyl)-n-methyl-pyrrolidine

Molecular Formula

C₇H₁₅Cl₂N

Molecular Weight

184.10 g/mol

InChI Key

KCQMALZNENFGKK-UHFFFAOYSA-N

1 2D Structure

CAS 56824-22-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2-chloroethyl)-1-methylpyrrolidine;hydrochloride

2.1.2 InChI

InChI=1S/C7H14ClN.ClH/c1-9-6-2-3-7(9)4-5-8;/h7H,2-6H2,1H3;1H

2.1.3 InChI Key

KCQMALZNENFGKK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCCC1CCCl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 56824-22-7

2. 2-(2-chloroethyl)-n-methyl-pyrrolidine Hydrochloride

3. 2-(2-chloroethyl)-1-methylpyrrolidine Hcl

4. 2-(2-chloroethyl)-1-methylpyrrolidine;hydrochloride

5. Einecs 260-395-2

6. 2-(2-chloroethyl)-n-methyl-pyrrolidine

7. 2-(n-methyl-2-pyrrolidinyl)ethyl Chloride Hydrochloride

8. 2-(2-chloroethyl)-1-methylpyrrolldine Hydrochloride

9. 2-(2-chloroethyl)-1-methylpyrrolidinehydrochloride

10. Schembl499369

11. 2-(2-chloroethyl)-1-methyl-pyrrolidine Hydrochloride

12. Dtxsid30972261

13. Kcqmalznenfgkk-uhfffaoysa-n

14. Mfcd00012717

15. Akos015898006

16. 2-(2-chloroethyl)-n-methyl-pyrrolidine Hcl

17. Ft-0640413

18. D87704

19. A831190

20. 2-(2-chloroethyl)-1-methylpyrrolidine Hydrochoride

21. W-105501

22. 2-(2-chloroethyl)-1-methylpyrrolidine Hydrochloride, 99%

23. 2-(2-chloroethyl)-1-methylpyrrolidine--hydrogen Chloride (1/1)

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₅Cl₂N
Molecular Weight	184.10 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	3.2
Heavy Atom Count	10
Formal Charge	0
Complexity	85
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2