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Home > Aldehydes > 1242594-27-9
1242594-27-9 | Benzaldehyde, 3-[4-(phenylmethyl)-1-piperazinyl]-
CAS No: 1242594-27-9 Catalog No: AG000LRF MDL No:
Product Description
Catalog Number:
AG000LRF
Chemical Name:
Benzaldehyde, 3-[4-(phenylmethyl)-1-piperazinyl]-
CAS Number:
1242594-27-9
Molecular Formula:
C18H20N2O
Molecular Weight:
280.3642
IUPAC Name:
3-(4-benzylpiperazin-1-yl)benzaldehyde
InChI:
InChI=1S/C18H20N2O/c21-15-17-7-4-8-18(13-17)20-11-9-19(10-12-20)14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2
InChI Key:
DJIJDRPDLZKOMR-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)N1CCN(CC1)Cc1ccccc1
Properties
Complexity:
319
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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