1-(2-Tetrahydrofuroyl)piperazine hydrobromide - CAS 63590-62-5

Catalog:	BB032208
Product Name:	1-(2-Tetrahydrofuroyl)piperazine hydrobromide
CAS:	63590-62-5
Synonyms:	oxolan-2-yl(piperazin-1-yl)methanone;hydrobromide

Technical Data

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Computed Properties

IUPAC Name:	oxolan-2-yl(piperazin-1-yl)methanone;hydrobromide
Description:	1-(2-Tetrahydrofuroyl)piperazine hydrobromide (CAS# 63590-62-5) is a useful research chemical.
Molecular Weight:	184.24 (free base basis)
Molecular Formula:	C9H16N2O2 · xHBr
Canonical SMILES:	C1CC(OC1)C(=O)N2CCNCC2.Br
InChI:	InChI=1S/C9H16N2O2.BrH/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11;/h8,10H,1-7H2;1H
InChI Key:	IMMDGWNBMNOMPW-UHFFFAOYSA-N
Boiling Point:	386.4 ℃ at 760 mmHg
MDL:	MFCD03701619
LogP:	0.82200

Publication Number	Title	Priority Date
CN-109400571-A	With Î±1Heterochromatic full -4- the ketones derivant of receptor blocking activity or its pharmaceutical salt, preparation method and the usage	20181226
WO-2020023355-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20180723
US-2021299126-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20180723
CN-109666027-A	GPR40 agonist compound of a kind of amide structure and application thereof	20171017
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	264.04734
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	264.04734
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0