AG0039T1

84163-22-4 | 3-(Piperidin-4-yl)benzo[d]isoxazole hydrochloride

AG0039T1

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CAS Number	84163-22-4
Catalog Number	AG0039T1(AGN-PC-0UQR68)
Chemical Name	3-(Piperidin-4-yl)benzo[d]isoxazole hydrochloride
IUPAC Name	3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
InChI	InChI=1S/C12H14N2O.ClH/c1-2-4-11-10(3-1)12(14-15-11)9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
InChI Key	JVRIOVDBNNWSHA-UHFFFAOYSA-N
MDL Number	MFCD27978162
Molecular Formula	C12H15ClN2O
Molecular Weight	238.7133
SMILES	Cl.N1CCC(CC1)C1=NOC2=C1C=CC=C2
Synonyms	84163-22-4, 3-(Piperidin-4-yl)benzo[d]isoxazole Hydrochloride, 3-(4-Piperidinyl)-1,2-benzisoxazole Hydrochloride, 3-(4-Piperidyl)-1,2-benzoxazole hydrochloride, SCHEMBL1545403, JVRIOVDBNNWSHA-UHFFFAOYSA-N, MFCD27978162, AKOS025212827, FT-0673935, 3-piperidin-4-yl-benzo[d]isoxazolehydrochloride, 3-piperidin-4-ylbenzo[d]isoxazole hydrochloride, 3-(4-piperidyl)-1,2-benzisoxazole hydrochloride, 3-Piperidin-4-yl-benzo[d]isoxazole hydrochloride, 3-(4piperidinyl)-1,2-benzisoxazole hydrochloride, 1,2-Benzisoxazole, 3-(4-piperidinyl)-, monohydrochloride,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.087g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	238.715g/mol
Monoisotopic Mass	238.087g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.1A^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

Lot Number