3'-Aminoacetophenone - CAS 99-03-6
Catalog: |
BB042244 |
Product Name: |
3'-Aminoacetophenone |
CAS: |
99-03-6 |
Synonyms: |
Ethanone, 1-(3-aminophenyl)-; Acetophenone, 3'-amino-; 1-(3-Aminophenyl)ethan-1-one; 1-Acetyl-3-aminobenzene; 3-Acetylaniline; 3-Acetylphenylamine; 3-Methylcarbonylaniline; m-Acetylaniline; m-Aminoacetophenone; m-Aminoacetylbenzene; NSC 7637; β-Aminoacetophenone |
IUPAC Name: | 1-(3-aminophenyl)ethanone |
Molecular Weight: | 135.16 |
Molecular Formula: | C8H9NO |
Canonical SMILES: | CC(=O)C1=CC(=CC=C1)N |
InChI: | InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3 |
InChI Key: | CKQHAYFOPRIUOM-UHFFFAOYSA-N |
Boiling Point: | 289.5°C |
Melting Point: | 98.5°C |
Purity: | ≥95% |
Density: | 1.096±0.06 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
Appearance: | Yellow to light brown crystalline powder |
Storage: | Store at RT |
MDL: | MFCD00007796 |
LogP: | 2.05260 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113045398-A | Preparation process of 5-fluoro-2-hydroxyacetophenone | 20210324 |
CN-112574135-A | 4-aryl-5-thioether-2-difluoromethyl oxazole, and derivatives and synthesis method thereof | 20201214 |
CN-111848372-A | Preparation method of 3-hydroxyacetophenone | 20200612 |
CN-111450563-A | Stirring and distillation integrated equipment for preparing aminoacetophenone from nitroacetophenone | 20200521 |
CN-111217722-A | Azo aryl urea derivative and preparation method and application thereof | 20200306 |
PMID | Publication Date | Title | Journal |
22901670 | 20120915 | Synthesis, biological evaluation, and molecular docking of N-{3-[3-(9-methyl-9H-carbazol-3-yl)-acryloyl]-phenyl}-benzamide/amide derivatives as xanthine oxidase and tyrosinase inhibitors | Bioorganic & medicinal chemistry |
21679049 | 20120401 | Synthesis and antioxidant, cytotoxicity and antimicrobial activities of novel curcumin mimics | Journal of enzyme inhibition and medicinal chemistry |
22655237 | 20110101 | Effects of a fluorescent Myosin light chain phosphatase inhibitor on prostate cancer cells | Frontiers in oncology |
18178129 | 20081101 | FT-IR, NIR-FT-Raman and gas phase infrared spectra of 3-aminoacetophenone by density functional theory and ab initio Hartree-Fock calculations | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
18838776 | 20081001 | 3-Acetylanilinium bromide, nitrate and dihydrogen phosphate: hydrogen-bonding motifs in one, two and three dimensions | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 133 |
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: | 1.2 |
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