AG0005L9

101798-66-7 | 4-(Phenylthio)piperidine hydrochloride

AG0005L9

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CAS Number	101798-66-7
Catalog Number	AG0005L9(AGN-PC-01LQOX)
Chemical Name	4-(Phenylthio)piperidine hydrochloride
IUPAC Name	4-phenylsulfanylpiperidine;hydrochloride
InChI	InChI=1S/C11H15NS.ClH/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11;/h1-5,11-12H,6-9H2;1H
InChI Key	PIKSGAGHYJVJCX-UHFFFAOYSA-N
MDL Number	MFCD03840144
Molecular Formula	C11H16ClNS
Molecular Weight	229.7694
SMILES	Cl.C1NCCC(SC2=CC=CC=C2)C1
Synonyms	101798-66-7, 4-(phenylsulfanyl)piperidine hydrochloride, 4-(phenylthio)piperidine hydrochloride, 4-PHENYLSULFANYLPIPERIDINE HCL, 4-Phenylsulfanylpiperidine hydrochloride, AC1Q38TK, C11H15NS.HCl, SCHEMBL1019763, 4-Phenylsulfanylpiperidine, HCl, CTK7D1598, PIKSGAGHYJVJCX-UHFFFAOYSA-N, 4NSA-0-1, 5499AH, AR1838, MFCD03840144, AKOS024260368, MCULE-9346707429, 4-phenylsulphanylpiperidine hydrochloride, 4-Phenylsulfanyl-piperidine hydrochloride, AS-45218, 4-(Phenylsulphanyl)piperidine hydrochloride, AB0086556, Phenyl piperidin-4-yl sulphide hydrochloride, EN300-45205, L-4237, Piperidine, 4-(phenylthio)-, hydrochloride (1:1), F9995-2567, 4-Phenylsulfanylpiperidinehydrochloride, 101798-65-6,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.069g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	229.766g/mol
Monoisotopic Mass	229.069g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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