Home Other Building Blocks 2-(azepan-2-yl)-1-(furan-2-yl)ethan-1-one hydrochloride

2-(azepan-2-yl)-1-(furan-2-yl)ethan-1-one hydrochloride

CAS No.:
1384702-33-3
Catalog Number:
AG019ZL0
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
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Product Description
Catalog Number:
AG019ZL0
Chemical Name:
2-(azepan-2-yl)-1-(furan-2-yl)ethan-1-one hydrochloride
CAS Number:
1384702-33-3
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
MDL Number:
MFCD22375242
IUPAC Name:
2-(azepan-2-yl)-1-(furan-2-yl)ethanone;hydrochloride
InChI:
InChI=1S/C12H17NO2.ClH/c14-11(12-6-4-8-15-12)9-10-5-2-1-3-7-13-10;/h4,6,8,10,13H,1-3,5,7,9H2;1H
InChI Key:
CDUXAOKGAOSLDH-UHFFFAOYSA-N
SMILES:
O=C(c1ccco1)CC1CCCCCN1.Cl
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.103g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.731g/mol
Monoisotopic Mass:
243.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties