7-Cyanoindoline - CAS 115661-82-0

Catalog:	BB003603
Product Name:	7-Cyanoindoline
CAS:	115661-82-0
Synonyms:	2,3-dihydro-1H-indole-7-carbonitrile; 2,3-dihydro-1H-indole-7-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2,3-dihydro-1H-indole-7-carbonitrile
Description:	7-Cyanoindoline (CAS# 115661-82-0) is used in treatment of benign prostatic hypertophy.
Molecular Weight:	144.17
Molecular Formula:	C9H8N2
Canonical SMILES:	C1CNC2=C(C=CC=C21)C#N
InChI:	InChI=1S/C9H8N2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-3,11H,4-5H2
InChI Key:	YABRSQUYXZGQBW-UHFFFAOYSA-N
Boiling Point:	305.2 °C at 760 mmHg
Density:	1.18 g/cm³
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD01830669
LogP:	1.66428

Publication Number	Title	Priority Date
WO-2017114510-A1	Compound having erk kinase inhibitory activity, method for preparation thereof, and use thereof	20151231
US-2011112067-A1	Inhibitors of the Human Aldosterone Sythase CYP11B2	20091109
US-8541404-B2	Inhibitors of the human aldosterone synthase CYP11B2	20091109
EP-2475634-A2	Process for the preparation of indoline derivatives and their intermediates thereof	20090912
EP-2475634-B1	Process for the preparation of indoline derivatives and their intermediates thereof	20090912

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Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.068748264
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	144.068748264
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7