3-(1-Pyrrolidinylmethyl)benzonitrile - CAS 321198-27-0

Catalog:	BB021181
Product Name:	3-(1-Pyrrolidinylmethyl)benzonitrile
CAS:	321198-27-0
Synonyms:	3-(1-pyrrolidinylmethyl)benzonitrile; 3-(pyrrolidin-1-ylmethyl)benzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(pyrrolidin-1-ylmethyl)benzonitrile
Description:	3-(1-Pyrrolidinylmethyl)benzonitrile (CAS# 321198-27-0) is a useful research chemical.
Molecular Weight:	186.25
Molecular Formula:	C12H14N2
Canonical SMILES:	C1CCN(C1)CC2=CC=CC(=C2)C#N
InChI:	InChI=1S/C12H14N2/c13-9-11-4-3-5-12(8-11)10-14-6-1-2-7-14/h3-5,8H,1-2,6-7,10H2
InChI Key:	AAVUHDFNXPJROH-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CN-108884092-A	Pyrazolo-heteroaryl analog derivative, preparation method and its application in medicine	20161128
EP-3539963-A1	Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use	20161111
US-2020062758-A1	Nitrogen-Containing Heterocyclic Compound, Preparation Method, Intermediate, Pharmaceutical Composition and use	20161111
WO-2018086593-A1	Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use	20161111
AU-2015318062-B2	Methods of preparing toll-like receptor modulators	20140916

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Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.115698455
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.115698455
Rotatable Bond Count:	2
Topological Polar Surface Area:	27
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5