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10159-39-4 | Benzaldehyde, 4,4'-(1,4-piperazinediyl)bis-
CAS No: 10159-39-4 Catalog No: AG0004XM MDL No:MFCD20921949
Product Description
Catalog Number:
AG0004XM
Chemical Name:
Benzaldehyde, 4,4'-(1,4-piperazinediyl)bis-
CAS Number:
10159-39-4
Molecular Formula:
C18H18N2O2
Molecular Weight:
294.3477
MDL Number:
MFCD20921949
IUPAC Name:
4-[4-(4-formylphenyl)piperazin-1-yl]benzaldehyde
InChI:
InChI=1S/C18H18N2O2/c21-13-15-1-5-17(6-2-15)19-9-11-20(12-10-19)18-7-3-16(14-22)4-8-18/h1-8,13-14H,9-12H2
InChI Key:
FZUIYMOPBHBVJH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C=O
NSC Number:
725988
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.354g/mol
Monoisotopic Mass:
294.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Highly active anti-Pneumocystis carinii compounds in a library of novel piperazine-linked bisbenzamidines and related compounds. | Antimicrobial agents and chemotherapy 20041101 |
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