1-[4-(2-Hydroxyethyl)-1-piperazinyl]ethanone - CAS 83502-55-0

Catalog:	BB037043
Product Name:	1-[4-(2-Hydroxyethyl)-1-piperazinyl]ethanone
CAS:	83502-55-0
Synonyms:	1-[4-(2-hydroxyethyl)-1-piperazinyl]ethanone; 1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
Description:	1-[4-(2-Hydroxyethyl)-1-piperazinyl]ethanone (CAS# 83502-55-0) is a useful research chemical.
Molecular Weight:	172.22
Molecular Formula:	C8H16N2O2
Canonical SMILES:	CC(=O)N1CCN(CC1)CCO
InChI:	InChI=1S/C8H16N2O2/c1-8(12)10-4-2-9(3-5-10)6-7-11/h11H,2-7H2,1H3
InChI Key:	MRGOMLFEVPNISR-UHFFFAOYSA-N
Boiling Point:	367 °C at 760 mmHg
Density:	1.111 g/cm³
LogP:	-0.17940

Publication Number	Title	Priority Date
WO-2021055376-A1	Il-17a modulators and uses thereof	20190916
WO-2020132582-A1	Sting agonists and uses thereof	20181221
EP-3628672-A1	Indane derivatives for use in the treatment of bacterial infection	20180925
WO-2020048546-A1	Tricyclic substituted piperidine dione compound	20180907
CN-112689627-A	Tricyclic substituted piperidinediones	20180907

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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:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.121177757
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.121177757
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1