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Home > Aldehydes > 166438-88-6
166438-88-6 | Benzaldehyde, 4-[4-(phenylmethyl)-1-piperazinyl]-
CAS No: 166438-88-6 Catalog No: AG001WQ2 MDL No:MFCD01765492
Product Description
Catalog Number:
AG001WQ2
Chemical Name:
Benzaldehyde, 4-[4-(phenylmethyl)-1-piperazinyl]-
CAS Number:
166438-88-6
Molecular Formula:
C18H20N2O
Molecular Weight:
280.3642
MDL Number:
MFCD01765492
IUPAC Name:
4-(4-benzylpiperazin-1-yl)benzaldehyde
InChI:
InChI=1S/C18H20N2O/c21-15-17-6-8-18(9-7-17)20-12-10-19(11-13-20)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2
InChI Key:
JDWZUVQRUPAVPK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N1CCN(CC1)Cc1ccccc1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.158g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.371g/mol
Monoisotopic Mass:
280.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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