1-(4-Aminophenyl)cyclobutanecarbonitrile - CAS 811803-25-5

Catalog:	BB036620
Product Name:	1-(4-Aminophenyl)cyclobutanecarbonitrile
CAS:	811803-25-5
Synonyms:	1-(4-aminophenyl)-1-cyclobutanecarbonitrile; 1-(4-aminophenyl)cyclobutane-1-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	1-(4-aminophenyl)cyclobutane-1-carbonitrile
Description:	1-(4-Aminophenyl)cyclobutanecarbonitrile (CAS# 811803-25-5 ) is a useful research chemical.
Molecular Weight:	172.23
Molecular Formula:	C11H12N2
Canonical SMILES:	C1CC(C1)(C#N)C2=CC=C(C=C2)N
InChI:	InChI=1S/C11H12N2/c12-8-11(6-1-7-11)9-2-4-10(13)5-3-9/h2-5H,1,6-7,13H2
InChI Key:	HUTJERLCYVJZPZ-UHFFFAOYSA-N
MDL:	MFCD16622256
LogP:	2.79528

Publication Number	Title	Priority Date
WO-2013100027-A1	Heterocyclic compound	20111228
CA-2749893-A1	4-amino-7,8-dihydropyrido[4,3-d]pyrimidin-5(6h)-one derivatives	20090204
EP-2393811-A1	4-amino-7,8-dihydropyrido[4,3-d]pyrimidin-5(6h)-one derivatives	20090204
JP-2012516885-A	4-amino-7,8-dihydropyrido [4,3-d] pyrimidin-5 (6H) -one derivatives	20090204
TW-201040175-A	4-amino-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-one derivatives	20090204

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Complexity:	226
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.100048391
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8