4-(1-Boc-3-azetidinyl)aniline - CAS 916421-36-8

Catalog:	BB040297
Product Name:	4-(1-Boc-3-azetidinyl)aniline
CAS:	916421-36-8
Synonyms:	3-(4-aminophenyl)-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-(4-aminophenyl)azetidine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-(4-aminophenyl)azetidine-1-carboxylate
Description:	4-(1-Boc-3-azetidinyl)aniline (CAS# 916421-36-8 ) is a useful research chemical.
Molecular Weight:	248.32
Molecular Formula:	C14H20N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(C1)C2=CC=C(C=C2)N
InChI:	InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-8-11(9-16)10-4-6-12(15)7-5-10/h4-7,11H,8-9,15H2,1-3H3
InChI Key:	XCLKFXTWLPMSFY-UHFFFAOYSA-N
LogP:	3.12220

Publication Number	Title	Priority Date
WO-2020081450-A1	Bifunctional compounds for degrading btk via ubiquitin proteosome pathway	20181015
EP-3867242-A1	Bifunctional compounds for degrading btk via ubiquitin proteosome pathway	20181015
KR-20210077719-A	Bifunctional compounds to degrade BTK via the ubiquitin proteosome pathway	20181015
WO-2019138227-A1	Pharmaceutical compounds	20180110
WO-2019101511-A1	Substituted trifluoromethyloxadiazoles for combating phytopathogenic fungi	20171123

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Complexity:	297
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.152477885
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	248.152477885
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2