4'-Aminoacetophenone - CAS 99-92-3
Catalog: |
BB042363 |
Product Name: |
4'-Aminoacetophenone |
CAS: |
99-92-3 |
Synonyms: |
1-(4-aminophenyl)ethanone; 1-(4-aminophenyl)ethanone |
IUPAC Name: | 1-(4-aminophenyl)ethanone |
Description: | 4-Aminoacetophenone is a novel utilization of aminophenone derivative in toxicology, for treating intoxications with cyanogenic toxic substances. |
Molecular Weight: | 135.16 |
Molecular Formula: | C8H9NO |
Canonical SMILES: | CC(=O)C1=CC=C(C=C1)N |
InChI: | InChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3 |
InChI Key: | GPRYKVSEZCQIHD-UHFFFAOYSA-N |
Boiling Point: | 293 °C |
Melting Point: | 100-105 °C |
Purity: | > 95 % |
Density: | 1.451 g/cm3 |
Solubility: | Soluble in hydrochloric acid |
Appearance: | Light yellow to tan solid |
MDL: | MFCD00007896 |
LogP: | 2.05260 |
Vapor Pressure: | 0.00989 [mmHg] |
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 |
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PMID | Publication Date | Title | Journal |
22261112 | 20120401 | Synthesis and evaluation of changes induced by solvent and substituent in electronic absorption spectra of some azo disperse dyes | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22412519 | 20120301 | Dimethyl 6-acetyl-2-methyl-1,2-dihydroquinoline-2,4-dicarboxyl-ate | Acta crystallographica. Section E, Structure reports online |
22593663 | 20120101 | Docking studies, synthesis, characterization and evaluation of their antioxidant and cytotoxic activities of some novel isoxazole-substituted 9-anilinoacridine derivatives | TheScientificWorldJournal |
22685432 | 20120101 | Triarylmethanes, a new class of cx50 inhibitors | Frontiers in pharmacology |
22091075 | 20110801 | 2-[2-(4-Acetyl-phen-yl)hydrazinyl-idene]-1,3-diphenyl-propane-1,3-dione | Acta crystallographica. Section E, Structure reports online |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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