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

Technical Data

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Computed Properties

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

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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