1-Phenylpiperazine Dihydrochloride - CAS 4004-95-9

Catalog:	BB024265
Product Name:	1-Phenylpiperazine Dihydrochloride
CAS:	4004-95-9
Synonyms:	1-phenylpiperazine;dihydrochloride; 1-phenylpiperazine;dihydrochloride

Technical Data

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Literatures

Computed Properties

IUPAC Name:	1-phenylpiperazine;dihydrochloride
Description:	1-Phenylpiperazine was tested for its activity as a topical glaucoma agent.
Molecular Weight:	235.15
Molecular Formula:	C10H16Cl2N2
Canonical SMILES:	C1CN(CCN1)C2=CC=CC=C2.Cl.Cl
InChI:	InChI=1S/C10H14N2.2ClH/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;;/h1-5,11H,6-9H2;2*1H
InChI Key:	CUTPTQNQXVVRDB-UHFFFAOYSA-N
Boiling Point:	287.2 °C at 760 mmHg
LogP:	2.29200

Publication Number	Title	Priority Date
JP-2015536914-A	Substituted phenyl carbamate compounds	20121012
CN-101137645-A	Aryl piperazine derivatives for the treatment of neuropsychiatric disorders	20050103
KR-20070057931-A	6- (Pyridinyl) -4-pyrimidone derivatives as tau protein kinase 1 inhibitors	20040929
AU-2005244389-A1	3-(((4-phenyl)-piperazine-1-yl)-alkyl)-3-alkyl-1, 3-dihydro-2H-indol-2-one derivatives and related compounds for the treatment of central nervous system disorders	20040511
AU-2005244389-B2	3-(((4-phenyl)-piperazine-1-yl)-alkyl)-3-alkyl-1, 3-dihydro-2H-indol-2-one derivatives and related compounds for the treatment of central nervous system disorders	20040511

PMID	Publication Date	Title	Journal
22960444	20121201	Phenylpiperazine derivatives with selectivity for dopamine D3 receptors modulate cocaine self-administration in rats	Neuropharmacology
22864394	20121001	DNA-binding, spectroscopic and antimicrobial studies of palladium(II) complexes containing 2,2'-bipyridine and 1-phenylpiperazine	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22957817	20121001	Phenylpiperazine derivatives: a patent review (2006 - present)	Expert opinion on therapeutic patents
22381672	20120401	Antiarrhythmic properties of phenylpiperazine derivatives of phenytoin with α₁-adrenoceptor affinities	Bioorganic & medicinal chemistry
22225603	20120301	FT-IR and Raman spectroscopic and quantum chemical investigations of some metal halide complexes of 1-phenylpiperazine	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

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Related Functional Groups

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[510725-49-2]
1-(Pyridin-3-ylmethyl)piperazine hydroChloride

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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:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.0690539
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	234.0690539
Rotatable Bond Count:	1
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0