4-Boc-1-(6-bromo-2-pyridyl)piperazine - CAS 331767-56-7

Name: 4-Boc-1-(6-bromo-2-pyridyl)piperazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021591
Product Name:	4-Boc-1-(6-bromo-2-pyridyl)piperazine
CAS:	331767-56-7
Synonyms:	tert-butyl 4-(6-bromopyridin-2-yl)piperazine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl 4-(6-bromopyridin-2-yl)piperazine-1-carboxylate
Description:	4-Boc-1-(6-bromo-2-pyridyl)piperazine (CAS# 331767-56-7 ) is a useful research chemical.
Molecular Weight:	342.23
Molecular Formula:	C14H20BrN3O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=CC=C2)Br
InChI:	InChI=1S/C14H20BrN3O2/c1-14(2,3)20-13(19)18-9-7-17(8-10-18)12-6-4-5-11(15)16-12/h4-6H,7-10H2,1-3H3
InChI Key:	CQSAPHUUCUUHNS-UHFFFAOYSA-N
Boiling Point:	445.3 °C at 760 mmHg
Purity:	97 %
Density:	1.372 g/cm³
Appearance:	White to yellow to tan powder, crystals or chunks
MDL:	MFCD07369773
LogP:	2.90410

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
AU-2017226004-A1	Inhibitors of WDR5 protein-protein binding	20160301
EP-3423451-A1	Inhibitors of wdr5 protein-protein binding	20160301
JP-2019512482-A	Inhibitors of WDR5 protein-protein binding	20160301
KR-20180120720-A	Inhibitors of WDR5 protein-protein binding	20160301
US-2019112290-A1	Inhibitors of wdr5 protein-protein binding	20160301

Complexity:	338
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	341.07389
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	341.07389
Rotatable Bond Count:	3
Topological Polar Surface Area:	45.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3