1-(2-Methoxyphenyl)piperazine hydrochloride - CAS 5464-78-8

Catalog:	BB028748
Product Name:	1-(2-Methoxyphenyl)piperazine hydrochloride
CAS:	5464-78-8
Synonyms:	1-(2-methoxyphenyl)piperazine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	1-(2-methoxyphenyl)piperazine;hydrochloride
Description:	Piperazine derivative used as reference material for forensic laboratories.
Molecular Weight:	228.72
Molecular Formula:	C11H16N2O · HCl
Canonical SMILES:	COC1=CC=CC=C1N2CCNCC2.Cl
InChI:	InChI=1S/C11H16N2O.ClH/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H
InChI Key:	DDMVHGULHRJOEC-UHFFFAOYSA-N
Boiling Point:	379.9 ℃ at 760 mmHg
Density:	1.057 g/cm³
MDL:	MFCD00012762
LogP:	2.30060

Publication Number	Title	Priority Date
WO-2021050980-A1	Druggable target to treat retinal degeneration	20190913
CN-109516960-B	Preparation method of urapidil hydrochloride	20181226
WO-2020020097-A1	Pyrazolotriazolopyrimidine derivatives as a2a receptor antagonist	20180723
TW-202016116-A	Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonists	20180723
CN-112469722-A	Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists	20180723

PMID	Publication Date	Title	Journal
22235758	20120101	Anti-biofilm activity of Salvadora persica on cariogenic isolates of Streptococcus mutans: in vitro and molecular docking studies	Biofouling
21821420	20110901	Synthesis and in vivo evaluation of [O-methyl-11C] N-[3,5-dichloro-2-(methoxy)phenyl]-4-(methoxy)-3-(1-piperazinyl)benzenesulfonamide as an imaging probe for 5-HT6 receptors	Bioorganic & medicinal chemistry
19734910	20091001	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum	Nature chemical biology
17869179	20080701	Underestimation of toluene diisocyanate concentration using long-term sampling with 1-(2-methoxyphenyl) piperazine impregnated filters	International journal of hygiene and environmental health
17710644	20070901	Omptin proteins: an expanding family of outer membrane proteases in Gram-negative Enterobacteriaceae	Molecular membrane biology

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Related Functional Groups

Piperazines

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1-Methanesulfonylpiperazine
[1197236-47-7]
Ethyl 4-[2-(4-amino-3-methylpyrazol-1-yl)propanoyl]piperazine-1-carboxylate hydrochloride
[1095010-43-7]
N-(4-Methylsulphonyl-3-nitrophenyl)piperazine
[31295-50-8]
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1-(Toluene-4-sulfonyl)piperazine

GHS Hazard Statement:	H301 (40%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.1029409
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	228.1029409
Rotatable Bond Count:	2
Topological Polar Surface Area:	24.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0