5-Ethylindole - CAS 68742-28-9

Catalog:	BB033622
Product Name:	5-Ethylindole
CAS:	68742-28-9
Synonyms:	5-ethyl-1H-indole; 5-ethyl-1H-indole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-ethyl-1H-indole
Description:	5-Ethylindole (CAS# 68742-28-9) is a useful research chemical.
Molecular Weight:	145.20
Molecular Formula:	C10H11N
Canonical SMILES:	CCC1=CC2=C(C=C1)NC=C2
InChI:	InChI=1S/C10H11N/c1-2-8-3-4-10-9(7-8)5-6-11-10/h3-7,11H,2H2,1H3
InChI Key:	OLOBSRWDALLNKY-UHFFFAOYSA-N
Boiling Point:	281.88 °C at 760 mmHg
Density:	1.078 g/cm³
LogP:	2.73030

Publication Number	Title	Priority Date
CN-111747981-A	Transition metal compound and preparation method and application thereof	20200721
CN-111303001-A	Synthesis method of indole mono-substituted 2-hydroxy-3- (1H-indol-3-yl) propionic acid compound	20200410
CN-110903233-A	3, 3' -diindolylmethane derivatives, and synthesis method and biological activity thereof	20191221
WO-2021114314-A1	Novel heterocyclic derivatives with cardiomyocyte proliferation activity for treatment of heart diseases	20191214
WO-2021115489-A1	Novel heterocyclic derivatives with cardiomyocyte proliferation activity for treatment of heart diseases	20191214

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Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.089149355
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	145.089149355
Rotatable Bond Count:	1
Topological Polar Surface Area:	15.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1