3-Allylindole - CAS 16886-09-2
Catalog: |
BB012497 |
Product Name: |
3-Allylindole |
CAS: |
16886-09-2 |
Synonyms: |
3-prop-2-enyl-1H-indole; 3-prop-2-enyl-1H-indole |
IUPAC Name: | 3-prop-2-enyl-1H-indole |
Description: | 3-Allylindole (CAS# 16886-09-2) is a useful research chemical. |
Molecular Weight: | 157.21 |
Molecular Formula: | C11H11N |
Canonical SMILES: | C=CCC1=CNC2=CC=CC=C21 |
InChI: | InChI=1S/C11H11N/c1-2-5-9-8-12-11-7-4-3-6-10(9)11/h2-4,6-8,12H,1,5H2 |
InChI Key: | UWJLKFQVYFDQEQ-UHFFFAOYSA-N |
Boiling Point: | 297.9 °C at 760 mmHg |
Density: | 1.074 g/cm3 |
LogP: | 2.89640 |
Publication Number | Title | Priority Date |
CN-112876401-A | Synthesis method of chiral 3-allylindole compound | 20210125 |
WO-2020043748-A1 | Sulforaphane-melatonin-like compound | 20180828 |
US-2019345140-A1 | Photoprotective compositions containing malassezia-derived compounds and/or chemical analogs thereof | 20180412 |
WO-2018136163-A2 | Tandem apoa-1 fusion polypeptides | 20161209 |
CN-105385011-A | TPV composition and automobile anti-collision strip | 20151027 |
PMID | Publication Date | Title | Journal |
22220007 | 20111101 | (E)-N,N'-Bis[2-(5-bromo-1H-indol-3-yl)eth-yl]-N,N'-(but-2-ene-1,4-di-yl)bis-(4-methyl-benzene-sulfonamide) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.089149355 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.089149355 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 15.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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