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CAS 223251-25-0 manufacturers and suppliers on PharmaCompass

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

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. 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
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