3-(4-Methylpiperazinyl)benzaldehyde - CAS 628325-62-2
Catalog: |
BB031831 |
Product Name: |
3-(4-Methylpiperazinyl)benzaldehyde |
CAS: |
628325-62-2 |
Synonyms: |
3-(4-methyl-1-piperazinyl)benzaldehyde; 3-(4-methylpiperazin-1-yl)benzaldehyde |
IUPAC Name: | 3-(4-methylpiperazin-1-yl)benzaldehyde |
Description: | 3-(4-Methylpiperazinyl)benzaldehyde (CAS# 628325-62-2) is a useful research chemical. |
Molecular Weight: | 204.27 |
Molecular Formula: | C12H16N2O |
Canonical SMILES: | CN1CCN(CC1)C2=CC=CC(=C2)C=O |
InChI: | InChI=1S/C12H16N2O/c1-13-5-7-14(8-6-13)12-4-2-3-11(9-12)10-15/h2-4,9-10H,5-8H2,1H3 |
InChI Key: | LQDFMHOZQXAHNJ-UHFFFAOYSA-N |
Boiling Point: | 344.8 ℃ at 760 mmHg |
Density: | 1.107 g/cm3 |
LogP: | 1.25380 |
Publication Number | Title | Priority Date |
WO-2021052892-A1 | Piperidinyl amine compounds for the treatment of autoimmune disease | 20190916 |
EP-3448386-B1 | Isoquinolin-3-yl carboxamides and preparation and use thereof | 20160427 |
WO-2013190320-A1 | Imidazopyridines as inhibitors of aurora kinase and/or flt3 | 20120621 |
AU-2010294214-A1 | Heterocylcic derivatives as inhibitors of glutaminyl cyclase | 20090911 |
AU-2010294214-B2 | Heterocylcic derivatives as inhibitors of glutaminyl cyclase | 20090911 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.126263138 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.126263138 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 23.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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