AG00DBZR

516474-01-4 | 1-Ethyl-3-Methylimidazolium Methylsulfate

AG00DBZR

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CAS Number	516474-01-4
Catalog Number	AG00DBZR(AGN-PC-0SAXA0)
Chemical Name	1-Ethyl-3-Methylimidazolium Methylsulfate
IUPAC Name	1-ethyl-3-methylimidazol-3-ium;methyl sulfate
InChI	InChI=1S/C6H11N2.CH4O4S/c1-3-8-5-4-7(2)6-8;1-5-6(2,3)4/h4-6H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key	BXSDLSWVIAITRQ-UHFFFAOYSA-M
MDL Number	MFCD08457697
Molecular Formula	C7H14N2O4S
Molecular Weight	222.2621
SMILES	C[N+]1=CN(CC)C=C1.O=S(OC)([O-])=O
Synonyms	516474-01-4, 1-Ethyl-3-methylimidazolium methyl sulfate, 1-ethyl-3-methyl-1H-imidazol-3-ium methyl sulfate, 1-ETHYL-3-METHYLIMIDAZOLIUM METHYLSULFATE, MFCD08457697, 1-ETHYL-3-METHYLIMIDAZOLIUMMETHYLSULFATE, DSSTox_CID_29266, DSSTox_RID_83385, DSSTox_GSID_49310, SCHEMBL413686, CHEMBL3186823, DTXSID5049310, CTK4J4610, BXSDLSWVIAITRQ-UHFFFAOYSA-M, Tox21_202641, NCGC00260189-01, ACM516474014, 1-ethyl-3-methylimidazolium methylsul-fate, DB-071390, RT-006299, CAS-516474-01-4, E1308, FT-0769761, 1-Ethyl-3-methylimidazolium methyl sulfate >=98.0% (HPLC), 1-Ethyl-3-methylimidazolium methyl sulfate, >=98.0% (HPLC),

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.067g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.259g/mol
Monoisotopic Mass	222.067g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number