1-Benzoylpiperazine hydrochloride - CAS 56227-55-5

Catalog:	BB029300
Product Name:	1-Benzoylpiperazine hydrochloride
CAS:	56227-55-5
Synonyms:	phenyl(piperazin-1-yl)methanone;hydrochloride

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Computed Properties

IUPAC Name:	phenyl(piperazin-1-yl)methanone;hydrochloride
Description:	1-Benzoylpiperazine hydrochloride (CAS# 56227-55-5) is a useful research chemical.
Molecular Weight:	226.70
Molecular Formula:	C11H14N2O · HCl
Canonical SMILES:	C1CN(CCN1)C(=O)C2=CC=CC=C2.Cl
InChI:	InChI=1S/C11H14N2O.ClH/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13;/h1-5,12H,6-9H2;1H
InChI Key:	KSVFXAZDBKITEF-UHFFFAOYSA-N
Boiling Point:	370.9 °C at 760 mmHg
MDL:	MFCD00459578
LogP:	1.80070

Publication Number	Title	Priority Date
RU-2633699-C2	Pyrimidyl-di(diazadispiroalkane)s with antiviral activity	20151020
WO-2017069661-A1	Pyrimidyl-di(diazaspiro-alkanes) with antiviral activity	20151020
EP-3325462-A1	Lysyl oxidase-like 2 inhibitors and uses thereof	20150723
JP-2018521044-A	Lysyl oxidase like 2 inhibitor and its use	20150723
US-2018215727-A1	Lysyl oxidase-like 2 inhibitors and uses thereof	20150723

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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:	194
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.0872908
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	226.0872908
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0