4-(4-Methyl-1-piperazinyl)-3-nitroaniline - CAS 5367-67-9
Catalog: |
BB028320 |
Product Name: |
4-(4-Methyl-1-piperazinyl)-3-nitroaniline |
CAS: |
5367-67-9 |
Synonyms: |
4-(4-methyl-1-piperazinyl)-3-nitroaniline; 4-(4-methylpiperazin-1-yl)-3-nitroaniline |
IUPAC Name: | 4-(4-methylpiperazin-1-yl)-3-nitroaniline |
Description: | 4-(4-Methyl-1-piperazinyl)-3-nitroaniline (CAS# 5367-67-9) is a useful research chemical. |
Molecular Weight: | 236.27 |
Molecular Formula: | C11H16N4O2 |
Canonical SMILES: | CN1CCN(CC1)C2=C(C=C(C=C2)N)[N+](=O)[O-] |
InChI: | InChI=1S/C11H16N4O2/c1-13-4-6-14(7-5-13)10-3-2-9(12)8-11(10)15(16)17/h2-3,8H,4-7,12H2,1H3 |
InChI Key: | MRKLOFJXWXDNEO-UHFFFAOYSA-N |
LogP: | 2.03610 |
Publication Number | Title | Priority Date |
WO-2021066958-A1 | Inhibitor of btk and mutants thereof | 20191005 |
CN-109734674-A | Phenyl amines WDR5 protein-protein interaction inhibitor and its preparation method and purposes | 20190226 |
WO-2020172932-A1 | Aniline wdr5 protein-protein interaction inhibitor, preparation method therefor and use thereof | 20190226 |
WO-2020176403-A1 | Inhibitor of btk and mutants thereof | 20190225 |
WO-2019205687-A1 | Phenyl triazole mll1-wdr5 protein-protein interaction inhibitor | 20180423 |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.12732577 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.12732577 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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Amines and Anilines
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