AG0032R8

872672-50-9 | 1-Ethyl-3-methylpyridinium Ethyl Sulfate

AG0032R8

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CAS Number	872672-50-9
Catalog Number	AG0032R8(AGN-PC-0VBPXL)
Chemical Name	1-Ethyl-3-methylpyridinium Ethyl Sulfate
IUPAC Name	1-ethyl-3-methylpyridin-1-ium;ethyl sulfate
InChI	InChI=1S/C8H12N.C2H6O4S/c1-3-9-6-4-5-8(2)7-9;1-2-6-7(3,4)5/h4-7H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChI Key	ZTLWMUBOQHZKNS-UHFFFAOYSA-M
MDL Number	MFCD08276374
Molecular Formula	C10H17NO4S
Molecular Weight	247.3113
SMILES	S(=O)(=O)(OCC)[O-].C(C)[N+]1=CC(=CC=C1)C
Synonyms	872672-50-9, 1-Ethyl-3-methylpyridinium Ethyl Sulfate, 1-Ethyl-3-methylpyridin-1-ium ethyl sulfate, ACMC-209qje, 1-ETHYL-3-METHYLPYRIDINIUMETHYLSULFATE, SCHEMBL193915, CTK3E7679, DTXSID10659765, KS-000016XM, ANW-38664, MFCD08276374, AKOS015856684, RTR-027312, 1-ethyl-3-methylpyridinium ethylsulfate, AB1008385, TR-027312, 1-ethyl-3-methylpyridin-1-ium;ethyl sulfate, E0681, null,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.088g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.309g/mol
Monoisotopic Mass	247.088g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number