2-Methoxy-4-(4-methyl-1-piperazinyl)aniline - CAS 122833-04-9
Catalog: |
BB005530 |
Product Name: |
2-Methoxy-4-(4-methyl-1-piperazinyl)aniline |
CAS: |
122833-04-9 |
Synonyms: |
2-methoxy-4-(4-methyl-1-piperazinyl)aniline; 2-methoxy-4-(4-methylpiperazin-1-yl)aniline |
IUPAC Name: | 2-methoxy-4-(4-methylpiperazin-1-yl)aniline |
Description: | 2-Methoxy-4-(4-methyl-1-piperazinyl)aniline (CAS# 122833-04-9) is a useful synthetic intermediate. It is used to 4,5-dihydro-1H-pyrazolo[4,3-h]quinazolines as orally and selective Polo-like kinase 1 inhibitors. It is also used to synthesize IRAK-4 inhibitors. |
Molecular Weight: | 221.30 |
Molecular Formula: | C12H19N3O |
Canonical SMILES: | CN1CCN(CC1)C2=CC(=C(C=C2)N)OC |
InChI: | InChI=1S/C12H19N3O/c1-14-5-7-15(8-6-14)10-3-4-11(13)12(9-10)16-2/h3-4,9H,5-8,13H2,1-2H3 |
InChI Key: | LUYPGLRYFIVYTH-UHFFFAOYSA-N |
MDL: | MFCD11848954 |
LogP: | 1.61330 |
Publication Number | Title | Priority Date |
WO-2021197467-A1 | Multi-target anti-tumor compound, preparation method therefor and use thereof | 20200402 |
CN-110724137-A | Thiophene derivative and preparation method and application thereof | 20191113 |
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Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.152812238 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.152812238 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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Amines and Anilines
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