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Also known as: 223251-25-0, 4-[2-(1-azepanyl)ethoxy]benzyl chloride hcl, 1-[2-[4-(chloromethyl)phenoxy]ethyl]hexahydro-1h-azepine hydrochloride, 1-[2-[4-(chloromethyl)phenoxy]ethyl]azepane;hydrochloride, 1-{2-[4-(chloromethyl)phenoxy]ethyl} azepane hydrochloride, 1-(2-(4-(chloromethyl)phenoxy)ethyl)azepane hcl
Molecular Formula
C15H23Cl2NO
Molecular Weight
304.3  g/mol
InChI Key
RMVQWASPAGLTRZ-UHFFFAOYSA-N

CAS 223251-25-0
1 2D Structure

CAS 223251-25-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[2-[4-(chloromethyl)phenoxy]ethyl]azepane;hydrochloride
2.1.2 InChI
InChI=1S/C15H22ClNO.ClH/c16-13-14-5-7-15(8-6-14)18-12-11-17-9-3-1-2-4-10-17;/h5-8H,1-4,9-13H2;1H
2.1.3 InChI Key
RMVQWASPAGLTRZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCCN(CC1)CCOC2=CC=C(C=C2)CCl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 223251-25-0

2. 4-[2-(1-azepanyl)ethoxy]benzyl Chloride Hcl

3. 1-[2-[4-(chloromethyl)phenoxy]ethyl]hexahydro-1h-azepine Hydrochloride

4. 1-[2-[4-(chloromethyl)phenoxy]ethyl]azepane;hydrochloride

5. 1-{2-[4-(chloromethyl)phenoxy]ethyl} Azepane Hydrochloride

6. 1-(2-(4-(chloromethyl)phenoxy)ethyl)azepane Hcl

7. 1-{2-[4-(chloromethyl)phenoxy]ethyl}azepane Hydrochloride

8. Schembl1274358

9. Dtxsid30432355

10. Amy12067

11. Bcp27770

12. Cs-m1883

13. Mfcd11865353

14. Akos015845822

15. Ss-4934

16. Ac-27660

17. Db-122858

18. F13665

19. A852934

20. W-201925

21. 1-(2-(4-(chloromethyl)phenoxy)ethyl)azepanehydrochloride

22. 1-[2-[4-(chloromethyl)phenoxy]ethyl]azepane,hydrochloride

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 304.3 g/mol
Molecular Formula C15H23Cl2NO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass303.1156697 g/mol
Monoisotopic Mass303.1156697 g/mol
Topological Polar Surface Area12.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity209
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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