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Home > Aldehydes > 1170029-77-2
1170029-77-2 | 2-(4-Benzylpiperazin-1-yl)benzaldehyde dihydrochloride
CAS No: 1170029-77-2 Catalog No: AG01F7W8 MDL No:
Product Description
Catalog Number:
AG01F7W8
Chemical Name:
2-(4-Benzylpiperazin-1-yl)benzaldehyde dihydrochloride
CAS Number:
1170029-77-2
Molecular Formula:
C18H22Cl2N2O
Molecular Weight:
353.2861
IUPAC Name:
2-(4-benzylpiperazin-1-yl)benzaldehyde;dihydrochloride
InChI:
InChI=1S/C18H20N2O.2ClH/c21-15-17-8-4-5-9-18(17)20-12-10-19(11-13-20)14-16-6-2-1-3-7-16;;/h1-9,15H,10-14H2;2*1H
InChI Key:
CQERFSNPPGXDTA-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1N1CCN(CC1)Cc1ccccc1.Cl.Cl
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
353.287g/mol
Monoisotopic Mass:
352.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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