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Home > Aldehydes > 439691-80-2
439691-80-2 | Benzaldehyde,4-[(4-methyl-1-piperazinyl)methyl]-
CAS No: 439691-80-2 Catalog No: AG0072LV MDL No:MFCD07772865
Product Description
Catalog Number:
AG0072LV
Chemical Name:
Benzaldehyde,4-[(4-methyl-1-piperazinyl)methyl]-
CAS Number:
439691-80-2
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
MDL Number:
MFCD07772865
IUPAC Name:
4-[(4-methylpiperazin-1-yl)methyl]benzaldehyde
InChI:
InChI=1S/C13H18N2O/c1-14-6-8-15(9-7-14)10-12-2-4-13(11-16)5-3-12/h2-5,11H,6-10H2,1H3
InChI Key:
DJJFKXUSAXIMLS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)CN1CCN(CC1)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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