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1-[4-(tert-Butyl)phenyl]cyclopropanecarbonitrile

1-[4-(tert-Butyl)phenyl]cyclopropanecarbonitrile - CAS 1096317-25-7

Catalog:	BB002522
Product Name:	1-[4-(tert-Butyl)phenyl]cyclopropanecarbonitrile
CAS:	1096317-25-7
Synonyms:	1-(4-tert-butylphenyl)-1-cyclopropanecarbonitrile; 1-(4-tert-butylphenyl)cyclopropane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(4-tert-butylphenyl)cyclopropane-1-carbonitrile
Description:	1-[4-(tert-Butyl)phenyl]cyclopropanecarbonitrile (CAS# 1096317-25-7 ) is a useful research chemical.
Molecular Weight:	199.29
Molecular Formula:	C14H17N
Canonical SMILES:	CC(C)(C)C1=CC=C(C=C1)C2(CC2)C#N
InChI:	InChI=1S/C14H17N/c1-13(2,3)11-4-6-12(7-5-11)14(10-15)8-9-14/h4-7H,8-9H2,1-3H3
InChI Key:	UFSMLMMZMPISPQ-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2021070748-A1	Inhibitors of brutons tyrosine kinase	20150602
US-2018030027-A1	Inhibitors of bruton's tyrosine kinase	20131205
US-2019100505-A1	Inhibitors of bruton's tyrosine kinase	20131205
US-9656988-B2	Inhibitors of Bruton's tyrosine kinase	20131205
US-2012251497-A1	Inhibitors of hepatitis c virus	20101026

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Complexity:	276
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.136099547
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.136099547
Rotatable Bond Count:	2
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6