Home Other Building Blocks 2-(azepan-4-yl)-1-(pyrrolidin-1-yl)ethan-1-one dihydrochloride

2-(azepan-4-yl)-1-(pyrrolidin-1-yl)ethan-1-one dihydrochloride

CAS No.:
1909336-53-3
Catalog Number:
AG01C47D
Molecular Formula:
C12H24Cl2N2O
Molecular Weight:
283.2378
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Product Description
Catalog Number:
AG01C47D
Chemical Name:
2-(azepan-4-yl)-1-(pyrrolidin-1-yl)ethan-1-one dihydrochloride
CAS Number:
1909336-53-3
Molecular Formula:
C12H24Cl2N2O
Molecular Weight:
283.2378
MDL Number:
MFCD29763042
IUPAC Name:
2-(azepan-4-yl)-1-pyrrolidin-1-ylethanone;dihydrochloride
InChI:
InChI=1S/C12H22N2O.2ClH/c15-12(14-8-1-2-9-14)10-11-4-3-6-13-7-5-11;;/h11,13H,1-10H2;2*1H
InChI Key:
IFHUCNQYCCHTRP-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)CC1CCNCCC1.Cl.Cl
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.127g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
283.237g/mol
Monoisotopic Mass:
282.127g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties