AG005H2W

77542-18-8 | 1-Ethyl-1-methyl-4-oxopiperidin-1-ium iodide

AG005H2W

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CAS Number	77542-18-8
Catalog Number	AG005H2W(AGN-PC-0NFUB9)
Chemical Name	1-Ethyl-1-methyl-4-oxopiperidin-1-ium iodide
IUPAC Name	1-ethyl-1-methylpiperidin-1-ium-4-one;iodide
InChI	InChI=1S/C8H16NO.HI/c1-3-9(2)6-4-8(10)5-7-9;/h3-7H2,1-2H3;1H/q+1;/p-1
InChI Key	PIDODLRGSKHQDP-UHFFFAOYSA-M
MDL Number	MFCD16620306
Molecular Formula	C8H16INO
Molecular Weight	269.1232
SMILES	O=C1CC[N+](C)(CC)CC1.[I-]
Synonyms	1-Ethyl-1-methyl-4-oxopiperidin-1-ium iodide, 77542-18-8, 1-ethyl-1-methyl-4-oxo-piperidinium iodide, SCHEMBL426332, CTK2G6280, DTXSID80455155, PIDODLRGSKHQDP-UHFFFAOYSA-M, KS-00000R9F, MFCD16620306, AKOS016012459, DS-5314, AK126848, 1- ethyl-1-methyl-4-oxopiperidinium iodide, 1-Ethyl-1-Methyl-4-Oxopiperidinium Iodide, AX8248639, 1-ethyl-1-methylpiperidin-1-ium-4-one;iodide, X-3138, Piperidinium, 1-ethyl-1-methyl-4-oxo-, iodide, CID11097568, 1-ethyl-1-methyl-2,3,5,6-tetrahydropyridin-4-one Iodide,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.028g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	269.126g/mol
Monoisotopic Mass	269.028g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^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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