2-(4-Methylpiperazin-1-yl)benzonitrile - CAS 85803-63-0
Catalog: |
BB037727 |
Product Name: |
2-(4-Methylpiperazin-1-yl)benzonitrile |
CAS: |
85803-63-0 |
Synonyms: |
2-(4-methyl-1-piperazinyl)benzonitrile; 2-(4-methylpiperazin-1-yl)benzonitrile |
IUPAC Name: | 2-(4-methylpiperazin-1-yl)benzonitrile |
Description: | 2-(4-Methylpiperazin-1-yl)benzonitrile (CAS# 85803-63-0) is a useful research chemical. |
Molecular Weight: | 201.27 |
Molecular Formula: | C12H15N3 |
Canonical SMILES: | CN1CCN(CC1)C2=CC=CC=C2C#N |
InChI: | InChI=1S/C12H15N3/c1-14-6-8-15(9-7-14)12-5-3-2-4-11(12)10-13/h2-5H,6-9H2,1H3 |
InChI Key: | RTVRHYSRKFDTFA-UHFFFAOYSA-N |
Boiling Point: | 344.3 ℃ at 760 mmHg |
Density: | 1.14 g/cm3 |
LogP: | 1.31298 |
Publication Number | Title | Priority Date |
WO-2020181207-A1 | Substituted bicyclic and tetracyclic quinones and related methods of use | 20190306 |
WO-2020114499-A1 | Tyrosine kinase inhibitors, compositions and methods there of | 20181207 |
US-11046658-B2 | Aminopyrazine derivatives as PI3K-γ inhibitors | 20180702 |
WO-2019238067-A1 | Pyrrolo [2, 3-b] pyridines or pyrrolo [2, 3-b] pyrazines as hpk1 inhibitor and the use thereof | 20180613 |
TW-202016109-A | Pyrrolo[2,3-B]pyridine or pyrrolo[2,3-B]pyrazine as an HPK1 inhibitor and uses thereof | 20180613 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.126597491 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.126597491 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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