3-Phenoxyaniline - CAS 3586-12-7
Catalog: |
BB022776 |
Product Name: |
3-Phenoxyaniline |
CAS: |
3586-12-7 |
Synonyms: |
3-phenoxyaniline |
IUPAC Name: | 3-phenoxyaniline |
Description: | 3-Phenoxyaniline (CAS# 3586-12-7) is used as a reagent to synthesize nipecotic bis(amide) inhibitors of the Rho/MKL1/SRF transcriptional pathway, these compounds are also potential anti-cancer agents. 3-Phenoxyaniline is also used as a reagent to synthesize inhibitors of the Dengue and West Nile virus proteases. |
Molecular Weight: | 185.22 |
Molecular Formula: | C12H11NO |
Canonical SMILES: | C1=CC=C(C=C1)OC2=CC=CC(=C2)N |
InChI: | InChI=1S/C12H11NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H,13H2 |
InChI Key: | UCSYVYFGMFODMY-UHFFFAOYSA-N |
Boiling Point: | 329 °C |
Density: | 1.158 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00041891 |
LogP: | 3.64230 |
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 |
Publication Number | Title | Priority Date |
CN-113511980-A | Aromatic polyimide with main chain containing benzonorbornene structure and preparation method thereof | 20210710 |
CN-112961323-A | Fluorinated benzonitrile and fluorinated epoxy resin composite material and preparation method thereof | 20210325 |
CN-111333639-A | Carboline derivative/analogue, preparation method and application thereof | 20200420 |
JP-2021143248-A | Total aromatic polyamide particles for rubber moldings | 20200311 |
WO-2021182526-A1 | Polymerizable composition for optical material, polymerizable prepolymer composition for optical material, cured object, and method for producing optical material | 20200310 |
PMID | Publication Date | Title | Journal |
21134756 | 20110101 | Inhibition of monoamine oxidase by selected C5- and C6-substituted isatin analogues | Bioorganic & medicinal chemistry |
12747787 | 20030522 | Discovery of a simple picomolar inhibitor of cholesteryl ester transfer protein | Journal of medicinal chemistry |
12190312 | 20020829 | Chiral N,N-disubstituted trifluoro-3-amino-2-propanols are potent inhibitors of cholesteryl ester transfer protein | Journal of medicinal chemistry |
11789780 | 20011201 | Brief pretreatment of radial artery conduits with phenoxybenzamine prevents vasoconstriction long term | The Annals of thoracic surgery |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.084063974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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Related Functional Groups
Amines and Anilines
Nitrogen Compounds
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