1-(2-Chlorophenyl)piperazine monohydrochloride - CAS 41202-32-8

Catalog:	BB024814
Product Name:	1-(2-Chlorophenyl)piperazine monohydrochloride
CAS:	41202-32-8
Synonyms:	1-(2-chlorophenyl)piperazine;hydrochloride

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Computed Properties

IUPAC Name:	1-(2-chlorophenyl)piperazine;hydrochloride
Description:	1-(2-Chlorophenyl)piperazine monohydrochloride (CAS# 41202-32-8 ) is a useful research chemical.
Molecular Weight:	233.14
Molecular Formula:	C10H13ClN2 · HCl
Canonical SMILES:	C1CN(CCN1)C2=CC=CC=C2Cl.Cl
InChI:	InChI=1S/C10H13ClN2.ClH/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
InChI Key:	GUTWDZXWTKMXPI-UHFFFAOYSA-N
Boiling Point:	317.4 °C at 760 mmHg
Melting Point:	160-163 °C (dec.)
Purity:	95 %
MDL:	MFCD00012761
LogP:	2.94540

Publication Number	Title	Priority Date
CN-110850012-A	Detection method of 1- (2, 3-dichlorophenyl) piperazine hydrochloride and related substances thereof	20180821
BR-112019011676-A2	polyadp ribose polymerase (parp) inhibitors	20161230
CA-3047137-A1	Poly-adp ribose polymerase (parp) inhibitors	20161230
CN-110167926-A	Poly- ADP ribose polymerase (PARP) inhibitor	20161230
EP-3562822-A1	Poly-adp ribose polymerase (parp) inhibitors	20161230

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.0534038
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	232.0534038
Rotatable Bond Count:	1
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0