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Home > Aldehydes > 848847-32-5
848847-32-5 | Benzaldehyde, 3-methyl-4-[3-(4-methyl-1-piperazinyl)propoxy]-
CAS No: 848847-32-5 Catalog No: AG004M99 MDL No:
Product Description
Catalog Number:
AG004M99
Chemical Name:
Benzaldehyde, 3-methyl-4-[3-(4-methyl-1-piperazinyl)propoxy]-
CAS Number:
848847-32-5
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
IUPAC Name:
3-methyl-4-[3-(4-methylpiperazin-1-yl)propoxy]benzaldehyde
InChI:
InChI=1S/C16H24N2O2/c1-14-12-15(13-19)4-5-16(14)20-11-3-6-18-9-7-17(2)8-10-18/h4-5,12-13H,3,6-11H2,1-2H3
InChI Key:
KSMJWWDZCPTGKH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C)OCCCN1CCN(CC1)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.38g/mol
Monoisotopic Mass:
276.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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