Indoline - CAS 496-15-1
Catalog: |
BB026755 |
Product Name: |
Indoline |
CAS: |
496-15-1 |
Synonyms: |
2,3-dihydro-1H-indole |
IUPAC Name: | 2,3-dihydro-1H-indole |
Description: | An indole derivative used in the preparation of various medicinal compounds such as potential α1-adrenoceptor (α1-AR) antagonists. |
Molecular Weight: | 119.16 |
Molecular Formula: | C8H9N |
Canonical SMILES: | C1CNC2=CC=CC=C21 |
InChI: | InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2 |
InChI Key: | LPAGFVYQRIESJQ-UHFFFAOYSA-N |
Boiling Point: | 228-230 °C |
Purity: | 98 % |
Density: | 1.063 g/cm3 |
Appearance: | Clear colorless to slightly brown liquid |
MDL: | MFCD00005705 |
LogP: | 1.79260 |
GHS Hazard Statement: | H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, 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 |
US-11015113-B1 | Wet-coated proppant and methods of making and using same | 20200413 |
US-10874687-B1 | Highly active compounds against COVID-19 | 20200227 |
US-2021186983-A1 | Orally administered combinations of amoxicillin and avibactam derivatives for treating mycobacterial infections | 20191220 |
US-2021188807-A1 | Compounds active towards nuclear receptors | 20191220 |
US-2021188828-A1 | Compounds active towards nuclear receptors | 20191220 |
PMID | Publication Date | Title | Journal |
33510133 | 20210128 | A small molecule\xa0compound with an indole moiety inhibits the main protease of SARS-CoV-2 and blocks virus replication | Nature communications |
32275923 | 20200601 | Sestrin2 overexpression alleviates hydrogen peroxide-induced apoptosis and oxidative stress in retinal ganglion cells by enhancing Nrf2 activation via Keap1 downregulation | Chemico-biological interactions |
30342421 | 20190101 | Novel natural non-nucleoside inhibitors of HIV-1 reverse transcriptase identified by shape- and structure-based virtual screening techniques | European journal of medicinal chemistry |
27049934 | 20160427 | New Insight of Tetraphenylethylene-based Raman Signatures for Targeted SERS Nanoprobe Construction Toward Prostate Cancer Cell Detection | ACS applied materials & interfaces |
26268341 | 20160101 | 6,7-Dihydroxyisoindolin-1-one and 7,8-Dihydroxy-3,4-Dihydroisoquinolin- 1(2H)-one Based HIV-1 Integrase Inhibitors | Current topics in medicinal chemistry |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 119.073499291 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 119.073499291 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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