4-Bromo-1-[2-(Boc-amino)-2-propyl]benzene - CAS 214973-83-8

Catalog:	BB016915
Product Name:	4-Bromo-1-[2-(Boc-amino)-2-propyl]benzene
CAS:	214973-83-8
Synonyms:	N-[2-(4-bromophenyl)propan-2-yl]carbamic acid tert-butyl ester; tert-butyl N-[2-(4-bromophenyl)propan-2-yl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[2-(4-bromophenyl)propan-2-yl]carbamate
Description:	4-Bromo-1-[2-(Boc-amino)-2-propyl]benzene (CAS# 214973-83-8) is a useful research chemical compound.
Molecular Weight:	314.22
Molecular Formula:	C14H20BrNO2
Canonical SMILES:	CC(C)(C)OC(=O)NC(C)(C)C1=CC=C(C=C1)Br
InChI:	InChI=1S/C14H20BrNO2/c1-13(2,3)18-12(17)16-14(4,5)10-6-8-11(15)9-7-10/h6-9H,1-5H3,(H,16,17)
InChI Key:	CKWJIFNNVRMXFW-UHFFFAOYSA-N
LogP:	4.59980

Publication Number	Title	Priority Date
WO-2021087181-A1	Substituted pyrazole compounds as toll receptor inhibitors	20191101
WO-2020102576-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181116
TW-202033504-A	Compounds and compositions for treating conditions associated with nlrp activity	20181116
EP-3880659-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181116
AU-2016341520-A1	Benzolactam compounds as protein kinase inhibitors	20151021

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2

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Complexity:	289
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	313.06774
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	313.06774
Rotatable Bond Count:	4
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7