1-(4-Chlorophenyl)piperazine - CAS 38212-33-8

Catalog:	BB023583
Product Name:	1-(4-Chlorophenyl)piperazine
CAS:	38212-33-8
Synonyms:	1-(4-chlorophenyl)piperazine

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Computed Properties

IUPAC Name:	1-(4-chlorophenyl)piperazine
Description:	1-(4-Chlorophenyl)piperazine (CAS# 38212-33-8 ) is a useful research chemical.
Molecular Weight:	196.68
Molecular Formula:	C10H13ClN2
Canonical SMILES:	C1CN(CCN1)C2=CC=C(C=C2)Cl
InChI:	InChI=1S/C10H13ClN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChI Key:	UNEIHNMKASENIG-UHFFFAOYSA-N
Boiling Point:	336.3 °C at 760 mmHg
Purity:	97 %
Density:	1.159 g/cm³
Appearance:	Light yellow crystalline powder
MDL:	MFCD00044823
LogP:	2.14340

Publication Number	Title	Priority Date
CN-112608275-A	Application of 2, 8-bis (trifluoromethyl) -4-hydroxyquinoline derivative in preparation and prevention and treatment of agricultural diseases	20201229
WO-2021202798-A1	Antigen binding proteins to class 5 etec adhesins	20200402
CN-111502112-A	Inorganic composite polyphenyl non-combustible heat preservation sandwich board assembled wall	20200330
US-2021277093-A1	Immunotherapeutic compositions and methods of production for coronavirus	20200309
WO-2021179961-A1	Compositions immunogenic against sars coronavirus 2, methods of making, and using thereof	20200309

PMID	Publication Date	Title	Journal
26344803	20151201	Structure-dependent inhibition of the human α1β2γ2 GABAA receptor by piperazine derivatives: A novel mode of action	Neurotoxicology
22830497	20121101	New cathepsin D inhibitor library utilizing hydroxyethyl isosteres with cyclic tertiary amines	Medicinal chemistry (Shariqah (United Arab Emirates))
22606094	20120401	(1S,2R,3R,6R,7S,8R,10S,11S)-13-{[4-(4-Chloro-phen-yl)piperazin-1-yl]meth-yl}-10-hy-droxy-4,9-dimethyl-3,8,15-trioxatetra-cyclo-[10.3.0.0(2,4).0(7,9)]penta-decan-14-one	Acta crystallographica. Section E, Structure reports online
21964881	20111201	The cardinal role of the phospholipase A(2)/cyclooxygenase-2/prostaglandin E synthase/prostaglandin E(2) (PCPP) axis in inflammostasis	Inflammation research : official journal of the European Histamine Research Society ... [et al.]
21491445	20110601	Transarterial chemoembolization using docetaxel-loaded phytantriol cubic phase precursor for the treatment of hepatocellular carcinoma	Journal of pharmaceutical sciences

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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:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.0767261
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.0767261
Rotatable Bond Count:	1
Topological Polar Surface Area:	15.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8