3-[(4-Methyl-1-piperazinyl)carbonyl]aniline - CAS 160647-73-4
Catalog: |
BB011655 |
Product Name: |
3-[(4-Methyl-1-piperazinyl)carbonyl]aniline |
CAS: |
160647-73-4 |
Synonyms: |
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone |
IUPAC Name: | (3-aminophenyl)-(4-methylpiperazin-1-yl)methanone |
Description: | 3-[(4-Methyl-1-piperazinyl)carbonyl]aniline (CAS# 160647-73-4) is a useful research chemical. |
Molecular Weight: | 219.28 |
Molecular Formula: | C12H17N3O |
Canonical SMILES: | CN1CCN(CC1)C(=O)C2=CC(=CC=C2)N |
InChI: | InChI=1S/C12H17N3O/c1-14-5-7-15(8-6-14)12(16)10-3-2-4-11(13)9-10/h2-4,9H,5-8,13H2,1H3 |
InChI Key: | ZULOTYWZYPALJU-UHFFFAOYSA-N |
Boiling Point: | 410.047 °C at 760 mmHg |
Density: | 1.167 g/cm3 |
MDL: | MFCD09045556 |
LogP: | 1.11340 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021003314-A1 | Heterocyclic compounds as kinase inhibitors | 20190702 |
CN-106674176-B | 7-substituted-4-aryl coumarin compound and preparation method and application thereof | 20161221 |
WO-2016153394-A1 | Use of novel chemical compounds (variants) as nuak1 kinase inhibitors for treating oncological diseases | 20150323 |
EP-2958910-B1 | Pyrimidine compounds useful in the treatment of diseases mediated by ikke and/or tbk1 mechanisms | 20130221 |
US-2016000784-A1 | Pyrimidine compounds useful in the treatment of diseases mediated by ikke and/or tbk1 mechanisms | 20130221 |
PMID | Publication Date | Title | Journal |
18454143 | 20080601 | Gene expression signatures and small-molecule compounds link a protein kinase to Plasmodium falciparum motility | Nature chemical biology |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.137162174 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.137162174 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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