4-Nitrophenethylamine - CAS 24954-67-4
Catalog: |
BB018679 |
Product Name: |
4-Nitrophenethylamine |
CAS: |
24954-67-4 |
Synonyms: |
2-(4-nitrophenyl)ethanamine; 2-(4-nitrophenyl)ethanamine |
IUPAC Name: | 2-(4-nitrophenyl)ethanamine |
Description: | 4-Nitrophenethylamine (CAS# 24954-67-4) is a useful research chemical. |
Molecular Weight: | 166.18 |
Molecular Formula: | C8H10N2O2 |
Canonical SMILES: | C1=CC(=CC=C1CCN)[N+](=O)[O-] |
InChI: | InChI=1S/C8H10N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6,9H2 |
InChI Key: | IOXOZOPLBFXYLM-UHFFFAOYSA-N |
LogP: | 2.31950 |
Publication Number | Title | Priority Date |
WO-2021125803-A1 | Novel pyrimidin derivative and use thereof | 20191216 |
WO-2021044436-A2 | Immunogenic compositions against enteric diseases and methods for its preparation thereof | 20190903 |
WO-2020264348-A1 | Inhibitors of prc1 for treatment of cancer | 20190627 |
WO-2019174221-A1 | Process for producing an amine in a solvent system containing water | 20180315 |
EP-3710435-A1 | Ox1 antagonists | 20171103 |
PMID | Publication Date | Title | Journal |
21587938 | 20100623 | N-(4-Nitro-pheneth-yl)formamide | Acta crystallographica. Section E, Structure reports online |
18602830 | 20080801 | Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1 | Bioorganic & medicinal chemistry |
16605246 | 20060418 | Functional role of the 'aromatic cage' in human monoamine oxidase B: structures and catalytic properties of Tyr435 mutant proteins | Biochemistry |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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