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Home > Aldehydes > 865203-79-8
865203-79-8 | Benzaldehyde,2-(4-ethyl-1-piperazinyl)-
CAS No: 865203-79-8 Catalog No: AG004PSX MDL No:MFCD05864669
Product Description
Catalog Number:
AG004PSX
Chemical Name:
Benzaldehyde,2-(4-ethyl-1-piperazinyl)-
CAS Number:
865203-79-8
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
MDL Number:
MFCD05864669
IUPAC Name:
2-(4-ethylpiperazin-1-yl)benzaldehyde
InChI:
InChI=1S/C13H18N2O/c1-2-14-7-9-15(10-8-14)13-6-4-3-5-12(13)11-16/h3-6,11H,2,7-10H2,1H3
InChI Key:
PCAHVXDDADHPLQ-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)c1ccccc1C=O
Properties
Complexity:
224
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:
1.7
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