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1-(2-(4-(Chloromethyl)Phenoxy)Ethyl)Azepane Hydrochloride
PharmaCompass
1-(2-(4-(Chloromethyl)Phenoxy)Ethyl)Azepane Hydrochloride
Also known as: 1-(2-(4-(chloromethyl)phenoxy)ethyl)azepane hydrochloride, 223251-25-0, Ak159712, 1-{2-[4-(chloromethyl)phenoxy]ethyl}azepane hydrochloride, W-201925, 4-[2-(1-azepanyl)ethoxy]benzyl chloride hcl
Molecular Formula
C15H23Cl2NO
Molecular Weight
304.255  g/mol
InChI Key
RMVQWASPAGLTRZ-UHFFFAOYSA-N

1 2D Structure

1-(2-(4-(Chloromethyl)Phenoxy)Ethyl)Azepane Hydrochloride

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. 1-(2-(4-(chloromethyl)phenoxy)ethyl)azepane Hydrochloride

2. 223251-25-0

3. Ak159712

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

5. W-201925

6. 4-[2-(1-azepanyl)ethoxy]benzyl Chloride Hcl

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

8. Pubchem21388

9. C15h22clno.clh

10. Schembl1274358

11. Ctk8c6722

12. Dtxsid30432355

13. Molport-009-683-617

14. Cs-m1883

15. Ks-00001ff8

16. 3002ah

17. Mfcd11865353

18. Sbb070954

19. Akos015845822

20. Ss-4934

21. Ac-27660

22. Ab0001052

23. Ax8292982

24. Kb-212487

25. Tc-067564

26. St24037039

27. Z-7965

28. 1-(2-(4-(chloromethyl)phenoxy)ethyl)azepane Hcl

29. I14-5137

30. 4-(2-azepan-1-ylethoxy)benzyl Chloride Hydrochloride

31. 1-[2-[4-(chloromethyl)phenoxy]ethyl]hexahydro-1h-azepine Hydrochloride

32. 1h-azepine,1-[2-[4-(chloromethyl)phenoxy]ethyl]hexahydro-,hydrochloride(1:1)

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 304.255 g/mol
Molecular Formula C15H23Cl2NO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass303.116 g/mol
Monoisotopic Mass303.116 g/mol
Topological Polar Surface Area12.5 A^2
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
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