Home Other Building Blocks 2-(thiophen-2-ylmethyl)azepane hydrochloride

2-(thiophen-2-ylmethyl)azepane hydrochloride

CAS No.:
1315367-62-4
Catalog Number:
AG01AJEP
Molecular Formula:
C11H18ClNS
Molecular Weight:
231.7853
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Product Description
Catalog Number:
AG01AJEP
Chemical Name:
2-(thiophen-2-ylmethyl)azepane hydrochloride
CAS Number:
1315367-62-4
Molecular Formula:
C11H18ClNS
Molecular Weight:
231.7853
MDL Number:
MFCD19382252
IUPAC Name:
2-(thiophen-2-ylmethyl)azepane;hydrochloride
InChI:
InChI=1S/C11H17NS.ClH/c1-2-5-10(12-7-3-1)9-11-6-4-8-13-11;/h4,6,8,10,12H,1-3,5,7,9H2;1H
InChI Key:
FFRYZFZHVRGZQS-UHFFFAOYSA-N
SMILES:
C1CCNC(CC1)Cc1cccs1.Cl
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.782g/mol
Monoisotopic Mass:
231.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties