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180698-19-5 | Piperazine, 1-[1,1'-biphenyl]-4-yl-
CAS No: 180698-19-5 Catalog No: AG002289 MDL No:MFCD02093529
Product Description
Catalog Number:
AG002289
Chemical Name:
Piperazine, 1-[1,1'-biphenyl]-4-yl-
CAS Number:
180698-19-5
Molecular Formula:
C16H18N2
Molecular Weight:
238.3275
MDL Number:
MFCD02093529
IUPAC Name:
1-(4-phenylphenyl)piperazine
InChI:
InChI=1S/C16H18N2/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)18-12-10-17-11-13-18/h1-9,17H,10-13H2
InChI Key:
OAKBDDKEEOAXNV-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1ccc(cc1)c1ccccc1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.334g/mol
Monoisotopic Mass:
238.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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