Home Other Building Blocks 2-[(3-methoxyphenyl)methyl]azepane hydrochloride

2-[(3-methoxyphenyl)methyl]azepane hydrochloride

CAS No.:
2060031-33-4
Catalog Number:
AG01BVRY
Molecular Formula:
C14H22ClNO
Molecular Weight:
255.7836
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Product Description
Catalog Number:
AG01BVRY
Chemical Name:
2-[(3-methoxyphenyl)methyl]azepane hydrochloride
CAS Number:
2060031-33-4
Molecular Formula:
C14H22ClNO
Molecular Weight:
255.7836
MDL Number:
MFCD30497644
IUPAC Name:
2-[(3-methoxyphenyl)methyl]azepane;hydrochloride
InChI:
InChI=1S/C14H21NO.ClH/c1-16-14-8-5-6-12(11-14)10-13-7-3-2-4-9-15-13;/h5-6,8,11,13,15H,2-4,7,9-10H2,1H3;1H
InChI Key:
FZVIXTRFCQGFTR-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC1CCCCCN1.Cl
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.139g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.786g/mol
Monoisotopic Mass:
255.139g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties