1-[4-(4-Amino-3-methoxyphenyl)-1-piperazinyl]ethanone - CAS 1021426-42-5
Catalog: |
BB000791 |
Product Name: |
1-[4-(4-Amino-3-methoxyphenyl)-1-piperazinyl]ethanone |
CAS: |
1021426-42-5 |
Synonyms: |
1-[4-(4-amino-3-methoxyphenyl)-1-piperazinyl]ethanone; 1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]ethanone |
IUPAC Name: | 1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]ethanone |
Description: | 1-[4-(4-Amino-3-methoxyphenyl)-1-piperazinyl]ethanone (CAS# 1021426-42-5) is a useful research chemical. |
Molecular Weight: | 249.31 |
Molecular Formula: | C13H19N3O2 |
Canonical SMILES: | CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)N)OC |
InChI: | InChI=1S/C13H19N3O2/c1-10(17)15-5-7-16(8-6-15)11-3-4-12(14)13(9-11)18-2/h3-4,9H,5-8,14H2,1-2H3 |
InChI Key: | OJCNMAFGNSFBOO-UHFFFAOYSA-N |
Appearance: | Powder |
LogP: | 1.53000 |
GHS Hazard Statement: | H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P201, P202, P264, P270, P280, P281, P301+P310, P302+P352, P305+P351+P338, P308+P313, P321, P330, P332+P313, P337+P313, P362, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021000825-A1 | Tyrosine Kinase Non-Receptor 1 (TNK1) Inhibitors and Uses Thereof | 20190703 |
WO-2021003417-A1 | Tyrosine kinase non-receptor 1 (tnk1) inhibitors and uses thereof | 20190703 |
WO-2020231726-A1 | Small-molecule focal adhesion kinase (fak) inhibitors | 20190510 |
WO-2020001392-A1 | Cathepsin c inhibitors | 20180630 |
CN-112601742-A | Cathepsin C inhibitors | 20180630 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.147726857 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.147726857 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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Amines and Anilines
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