Loperamide EP Impurity C - CAS 39512-49-7

Name: Loperamide EP Impurity C
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024007
Product Name:	Loperamide EP Impurity C
CAS:	39512-49-7
Synonyms:	4-(4-Chlorophenyl)-4-hydroxypiperidine; 4-(4-Chlorophenyl)-4-piperidinol; 4-Piperidinol, 4-(p-chlorophenyl)-; 4-(4'-Chlorophenyl)piperidin-4-ol; 4-(p-Chlorophenyl)-4-hydroxypiperidine; 4-(p-Chlorophenyl)-4-piperidinol; 4-Hydroxy-4-(4-chlorophenyl)piperidine; 4-Hydroxy-4-(p-chlorophenyl)piperidine; NSC 89568; Loperamide Impurity C; Loperamide Hydrochloride EP Impurity C

Technical Data

IUPAC Name:	4-(4-chlorophenyl)piperidin-4-ol
Description:	An impurity of Loperamide, which is a synthetic opioid used primarily to treat diarrhea.
Molecular Weight:	211.69
Molecular Formula:	C11H14ClNO
Canonical SMILES:	C1CNCCC1(C2=CC=C(C=C2)Cl)O
InChI:	InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
InChI Key:	LZAYOZUFUAMFLD-UHFFFAOYSA-N
Boiling Point:	344.5±42.0 °C at 760 mmHg
Melting Point:	134.4-136.0 °C
Purity:	95%
Density:	1.216±0.06 g/cm3
Solubility:	Soluble in Water
Appearance:	White to creamy-white crystalline powder
Storage:	Store at RT
MDL:	MFCD00006001
LogP:	2.23980

GHS Hazard Statement:	H302 (25.45%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22064768	20111001	4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-(2-phenylethyl)benzoate	Acta crystallographica. Section E, Structure reports online
21837116	20110701	4-(4-Chloro-phen-yl)-4-hy-droxy-piperidinium 2-(2-phenyl-eth-yl)benzoate	Acta crystallographica. Section E, Structure reports online
21754814	20110601	4-(4-Chloro-phen-yl)-4-hy-droxy-piperidinium benzoate	Acta crystallographica. Section E, Structure reports online
21588324	20100714	4-(4-Chloro-phen-yl)-4-hy-droxy-piperidinium maleate maleic acid solvate	Acta crystallographica. Section E, Structure reports online
21579241	20100430	Bis[4-(4-chloro-phen-yl)-4-hydroxy-piperidinium] dipicrate dimethyl sulfoxide solvate	Acta crystallographica. Section E, Structure reports online

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.0763918
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	211.0763918
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6