Home Halogens 1H-Azepine, 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]hexahydro-,hydrochloride

1H-Azepine, 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]hexahydro-,hydrochloride

CAS No.:
59767-13-4
Catalog Number:
AG00IALR
Molecular Formula:
C22H29Cl2NO
Molecular Weight:
394.3778
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Product Description
Catalog Number:
AG00IALR
Chemical Name:
1H-Azepine, 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]hexahydro-,hydrochloride
CAS Number:
59767-13-4
Molecular Formula:
C22H29Cl2NO
Molecular Weight:
394.3778
MDL Number:
MFCD01665131
IUPAC Name:
1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]azepane;hydrochloride
InChI:
InChI=1S/C22H28ClNO.ClH/c1-22(19-9-5-4-6-10-19,20-11-13-21(23)14-12-20)25-18-17-24-15-7-2-3-8-16-24;/h4-6,9-14H,2-3,7-8,15-18H2,1H3;1H
InChI Key:
YFCVXQAEHQJKQG-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(c1ccccc1)(OCCN1CCCCCC1)C.Cl
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.163g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
394.38g/mol
Monoisotopic Mass:
393.163g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties