2-(1-pyrrolidyl)benzonitrile - CAS 20925-25-1

Catalog:	BB016428
Product Name:	2-(1-pyrrolidyl)benzonitrile
CAS:	20925-25-1
Synonyms:	2-(1-pyrrolidinyl)benzonitrile; 2-pyrrolidin-1-ylbenzonitrile

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	2-pyrrolidin-1-ylbenzonitrile
Description:	2-(1-pyrrolidyl)benzonitrile (CAS# 20925-25-1) is a useful research chemical.
Molecular Weight:	172.23
Molecular Formula:	C11H12N2
Canonical SMILES:	C1CCN(C1)C2=CC=CC=C2C#N
InChI:	InChI=1S/C11H12N2/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-2,5-6H,3-4,7-8H2
InChI Key:	YUKHVYSSBBOQJW-UHFFFAOYSA-N
Boiling Point:	321.5 °C at 760 mmHg
Density:	1.12 g/cm³
LogP:	2.22348

Publication Number	Title	Priority Date
WO-2019197549-A1	Pyrazolo-triazine and/or pyrazolo-pyrimidine derivatives as selective inhibitor of cyclin dependent kinase	20180411
US-2021147427-A1	Pyrazolo-triazine and/or pyrazolo-pyrimidine derivatives as selective inhibitor of cyclin dependent kinase	20180411
WO-2019100735-A1	Fused tricyclic compounds and uses thereof in medicine	20171122
EP-3694856-A1	Fused tricyclic compounds and uses thereof in medicine	20171122
WO-2018219356-A1	Fused tricyclic compounds and uses thereof in medicine	20170601

PMID	Publication Date	Title	Journal
15471337	20040101	Ultrafast temporary charge transfer in pyrrolidinyl-benzonitrile and pyrrolyl-benzonitrile in the gas phase	Faraday discussions

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Related Functional Groups

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[2006277-06-9]
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Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.100048391
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.100048391
Rotatable Bond Count:	1
Topological Polar Surface Area:	27
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3