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Home > Aldehydes > 919088-03-2
919088-03-2 | Benzaldehyde, 4-[(1Z)-4-(4-methyl-1-piperazinyl)-1-buten-1-yl]-
CAS No: 919088-03-2 Catalog No: AG006L90 MDL No:
Product Description
Catalog Number:
AG006L90
Chemical Name:
Benzaldehyde, 4-[(1Z)-4-(4-methyl-1-piperazinyl)-1-buten-1-yl]-
CAS Number:
919088-03-2
Molecular Formula:
C16H22N2O
Molecular Weight:
258.3587
IUPAC Name:
4-[4-(4-methylpiperazin-1-yl)but-1-enyl]benzaldehyde
InChI:
InChI=1S/C16H22N2O/c1-17-10-12-18(13-11-17)9-3-2-4-15-5-7-16(14-19)8-6-15/h2,4-8,14H,3,9-13H2,1H3
InChI Key:
YQPHSAUNPMIAQA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)/C=C\CCN1CCN(CC1)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.365g/mol
Monoisotopic Mass:
258.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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