1 2D Structure

2D Structure

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 Formula	C₁₅H₂₃Cl₂NO
Molecular Weight	304.3 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	303.1156697 g/mol
Monoisotopic Mass	303.1156697 g/mol
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	209
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

CAS 223251-25-0