N-Boc-3-(bromomethyl)aniline - CAS 118684-32-5

Catalog:	BB004232
Product Name:	N-Boc-3-(bromomethyl)aniline
CAS:	118684-32-5
Synonyms:	N-[3-(bromomethyl)phenyl]carbamic acid tert-butyl ester; tert-butyl N-[3-(bromomethyl)phenyl]carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[3-(bromomethyl)phenyl]carbamate
Description:	N-Boc-3-(bromomethyl)aniline (CAS# 118684-32-5) is a useful research chemical compound.
Molecular Weight:	286.16
Molecular Formula:	C12H16BrNO2
Canonical SMILES:	CC(C)(C)OC(=O)NC1=CC=CC(=C1)CBr
InChI:	InChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13/h4-7H,8H2,1-3H3,(H,14,15)
InChI Key:	HQPYEVSQMSDBFG-UHFFFAOYSA-N
Storage:	Inert atmosphere, Store in freezer, under -20 °C
LogP:	4.00150

Publication Number	Title	Priority Date
WO-2021018173-A1	Adenosine receptor antagonist	20190730
WO-2020154672-A1	Anticancer drugs and methods of making and using same	20190125
KR-20200029946-A	Novel pyrido-pyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating protein kinase related disease containing the same as an active ingredient	20180911
AU-2018306726-A1	Anticancer drugs and methods of making and using same	20170728
EP-3659307-A1	Anticancer Drugs and Methods of Making and Using Same	20170728

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Related Functional Groups

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Complexity:	238
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	285.03644
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	285.03644
Rotatable Bond Count:	4
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4