AG001CSC

1408058-13-8 | Benzoxazole, 2-(4-piperidinyl)-, hydrochloride (1:1)

AG001CSC

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CAS Number	1408058-13-8
Catalog Number	AG001CSC(AGN-PC-0WA56A)
Chemical Name	Benzoxazole, 2-(4-piperidinyl)-, hydrochloride (1:1)
IUPAC Name	2-piperidin-4-yl-1,3-benzoxazole;hydrochloride
InChI	InChI=1S/C12H14N2O.ClH/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
InChI Key	SNYHDSIOBPNMML-UHFFFAOYSA-N
MDL Number	MFCD22574986
Molecular Formula	C12H15ClN2O
Molecular Weight	238.7133
SMILES	[H]Cl.C1(C2CCNCC2)=NC3=CC=CC=C3O1
Synonyms	2-(4-Piperidyl)benzoxazole Hydrochloride, 1408058-13-8, 2-(Piperidin-4-yl)benzo[d]oxazole hydrochloride, 2-(4-Piperidyl)benzoxazole HCl, 5234AJ, MFCD22574986, AKOS022185535, TRA0030865, AK128839, CS-11452, SY021520, AX8250985, TC-306823, Z-4621, MFCD22574986 (97+%), Benzoxazole, 2-(4-piperidinyl)-, hydrochloride (1:1), C12H14N2O.HCl, 21279-64-1,

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

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