Home Other Building Blocks 2-[4-(4-fluorophenyl)piperazin-1-yl]propanoic acid dihydrochloride

2-[4-(4-fluorophenyl)piperazin-1-yl]propanoic acid dihydrochloride

CAS No.:
1269151-07-6
Catalog Number:
AG01AGPQ
Molecular Formula:
C13H19Cl2FN2O2
Molecular Weight:
325.2066
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Product Description
Catalog Number:
AG01AGPQ
Chemical Name:
2-[4-(4-fluorophenyl)piperazin-1-yl]propanoic acid dihydrochloride
CAS Number:
1269151-07-6
Molecular Formula:
C13H19Cl2FN2O2
Molecular Weight:
325.2066
MDL Number:
MFCD18380619
IUPAC Name:
2-[4-(4-fluorophenyl)piperazin-1-yl]propanoic acid;dihydrochloride
InChI:
InChI=1S/C13H17FN2O2.2ClH/c1-10(13(17)18)15-6-8-16(9-7-15)12-4-2-11(14)3-5-12;;/h2-5,10H,6-9H2,1H3,(H,17,18);2*1H
InChI Key:
RUKXIJCWEBVBNY-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)N1CCN(CC1)c1ccc(cc1)F.Cl.Cl
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.081g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
325.205g/mol
Monoisotopic Mass:
324.081g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties