Quinuclidine-4-carbonitrile - CAS 26458-78-6

Catalog:	BB019292
Product Name:	Quinuclidine-4-carbonitrile
CAS:	26458-78-6
Synonyms:	1-azabicyclo[2.2.2]octane-4-carbonitrile; 1-azabicyclo[2.2.2]octane-4-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-azabicyclo[2.2.2]octane-4-carbonitrile
Description:	Quinuclidine-4-carbonitrile (CAS# 26458-78-6) is an intermediate used to prepare pleuromutilin (P610500) derivatives as antimicrobials.
Molecular Weight:	136.19
Molecular Formula:	C8H12N2
Canonical SMILES:	C1CN2CCC1(CC2)C#N
InChI:	InChI=1S/C8H12N2/c9-7-8-1-4-10(5-2-8)6-3-8/h1-6H2
InChI Key:	CEMKLAOKVLRABO-UHFFFAOYSA-N
Boiling Point:	238.7 °C at 760 mmHg
Density:	1.09 g/cm³
LogP:	0.93378

Publication Number	Title	Priority Date
WO-2021081272-A1	Progranulin modulators and methods of using the same	20191025
WO-2021030711-A1	Alkynyl quinazoline compounds	20190815
WO-2020252222-A1	Progranulin modulators and methods of using the same	20190612
WO-2020068867-A1	Quinazoline derivatives as tyrosine kinase inhibitor, compositions, methods of making them and their use	20180925
CN-113382986-A	Tyrosine kinase inhibitor compositions, methods of making and methods of using the same	20180925

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Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.100048391
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	136.100048391
Rotatable Bond Count:	0
Topological Polar Surface Area:	27
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4