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27913-99-1 | 4-(4-Methylpiperazino)benzaldehyde
CAS No: 27913-99-1 Catalog No: AG003K4I MDL No:MFCD00452233
Product Description
Catalog Number:
AG003K4I
Chemical Name:
4-(4-Methylpiperazino)benzaldehyde
CAS Number:
27913-99-1
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
MDL Number:
MFCD00452233
IUPAC Name:
4-(4-methylpiperazin-1-yl)benzaldehyde
InChI:
InChI=1S/C12H16N2O/c1-13-6-8-14(9-7-13)12-4-2-11(10-15)3-5-12/h2-5,10H,6-9H2,1H3
InChI Key:
PFODEVGLOVUVHS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N1CCN(CC1)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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