Home Aminos 3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one dihydrochloride

3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one dihydrochloride

CAS No.:
1172550-38-7
Catalog Number:
AG019UQY
Molecular Formula:
C13H20Cl2FN3O
Molecular Weight:
324.2218
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Product Description
Catalog Number:
AG019UQY
Chemical Name:
3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one dihydrochloride
CAS Number:
1172550-38-7
Molecular Formula:
C13H20Cl2FN3O
Molecular Weight:
324.2218
MDL Number:
MFCD11857916
IUPAC Name:
3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
InChI:
InChI=1S/C13H18FN3O.2ClH/c14-11-1-3-12(4-2-11)16-7-9-17(10-8-16)13(18)5-6-15;;/h1-4H,5-10,15H2;2*1H
InChI Key:
BZIHBRSRESVXJL-UHFFFAOYSA-N
SMILES:
NCCC(=O)N1CCN(CC1)c1ccc(cc1)F.Cl.Cl
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.097g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
324.221g/mol
Monoisotopic Mass:
323.097g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties