4-Aminophenyl Acetate - CAS 13871-68-6
Catalog: |
BB008829 |
Product Name: |
4-Aminophenyl Acetate |
CAS: |
13871-68-6 |
Synonyms: |
acetic acid (4-aminophenyl) ester; (4-aminophenyl) acetate |
IUPAC Name: | (4-aminophenyl) acetate |
Description: | 4-Aminophenyl Acetate (CAS# 13871-68-6) is an intermediate in the synthesis of 2,3-Dehydro Ketoconazole (D229700). 2,3-Dehydro Ketoconazole (Ketoconazole EP Impurity A) is a Ketoconazole (K186000) impurity. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | CC(=O)OC1=CC=C(C=C1)N |
InChI: | InChI=1S/C8H9NO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3 |
InChI Key: | QVJWBJWRAPJXNM-UHFFFAOYSA-N |
Boiling Point: | 275.9 °C at 760 mmHg |
Density: | 1.168 g/cm3 |
LogP: | 1.47710 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111269168-A | Preparation method of arbidol intermediate | 20200414 |
CN-111205202-A | Quaternary carbon center-containing symmetric gem-difluoroolefin derivative and synthesis method thereof | 20200229 |
KR-20210089290-A | Novel 1-phenyl-1H-pyrazole derivatives and use thereof | 20200107 |
US-2020323882-A1 | Phlip®-mediated targeting of corticosteroids to diseased tissue | 20190315 |
US-2020264124-A1 | Using 4-acetoxyphenol as a substrate for modular hydrolase biosensors | 20190219 |
PMID | Publication Date | Title | Journal |
20837478 | 20101112 | The streptococcal collagen-binding protein CNE specifically interferes with alphaVbeta3-mediated cellular interactions with triple helical collagen | The Journal of biological chemistry |
21588068 | 20100630 | Hydrogen bis-[2-(4-ammonio-phen-oxy)acetate] triiodide | Acta crystallographica. Section E, Structure reports online |
21582845 | 20090613 | 4-(Carboxy-meth-yl)anilinium chloride | Acta crystallographica. Section E, Structure reports online |
18804606 | 20081019 | Development of an optical fibre reflectance sensor for p-aminophenol detection based on immobilised bis-8-hydroxyquinoline | Talanta |
12729627 | 20030519 | Structure-activity relationship on human serum paraoxonase (PON1) using substrate analogues and inhibitors | Bioorganic & medicinal chemistry letters |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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Amines and Anilines
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