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Home > Aldehydes > 919088-12-3
919088-12-3 | Benzaldehyde, 4-methyl-3-[4-(4-methyl-1-piperazinyl)butoxy]-
CAS No: 919088-12-3 Catalog No: AG006L8Y MDL No:
Product Description
Catalog Number:
AG006L8Y
Chemical Name:
Benzaldehyde, 4-methyl-3-[4-(4-methyl-1-piperazinyl)butoxy]-
CAS Number:
919088-12-3
Molecular Formula:
C17H26N2O2
Molecular Weight:
290.4005
IUPAC Name:
4-methyl-3-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde
InChI:
InChI=1S/C17H26N2O2/c1-15-5-6-16(14-20)13-17(15)21-12-4-3-7-19-10-8-18(2)9-11-19/h5-6,13-14H,3-4,7-12H2,1-2H3
InChI Key:
XZWNEXZTVBWAEA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)OCCCCN1CCN(CC1)C)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.199g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.407g/mol
Monoisotopic Mass:
290.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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