AG003E6B

401788-98-5 | 1-BUTYL-3-METHYLIMIDAZOLIUM METHYLSULFATE

AG003E6B

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CAS Number	401788-98-5
Catalog Number	AG003E6B(AGN-PC-0RM79X)
Chemical Name	1-BUTYL-3-METHYLIMIDAZOLIUM METHYLSULFATE
IUPAC Name	1-butyl-3-methylimidazol-3-ium;methyl sulfate
InChI	InChI=1S/C8H15N2.CH4O4S/c1-3-4-5-10-7-6-9(2)8-10;1-5-6(2,3)4/h6-8H,3-5H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key	MEMNKNZDROKJHP-UHFFFAOYSA-M
MDL Number	MFCD03095437
Molecular Formula	C9H18N2O4S
Molecular Weight	250.3152
NSC Number	746786
SMILES	CN1C=C[N+](CCCC)=C1.O=S(OC)([O-])=O
Synonyms	(bmim)Br, (bmim)Cl, 1-butyl-3-methylimidazolium bromide, 1-butyl-3-methylimidazolium chloride, 1-butyl-3-methylimidazolium methylsulfate, 1-n-butyl-3-methylimidazolium chloride, 1H-imidazolium, 3-butyl-1-methyl-, chloride (1:1), 3-butyl-1-methylimidazolium chloride, BmimCl, butylmethylimidazolium chloride, 401788-98-5, 1-Butyl-3-methylimidazolium methyl sulfate, 1-Butyl-3-methylimidazolium methylsulfate, BMIMMeSO4, ECOENG 411, MFCD03095437, 3-Butyl-1-methyl-1H-imidazol-3-ium methyl sulfate, ACMC-20aowh, Basionics® LQ 02, SCHEMBL305739, CTK1D4919, DTXSID10477461, MEMNKNZDROKJHP-UHFFFAOYSA-M, NSC746786, AKOS015912618, NSC-746786, ACM401788985, AN-25090, 1-butyl-3-methylimidazolium methylsul-fate, 1-n-Butyl-3-methylimidazolium methylsulfate, RT-006260, B5527, 1-butyl-3-methyl-imidazol-3-ium; methyl sulfate, 1-butyl-3-methyl-1H-imidazol-3-ium methyl sulfate, 1-Butyl-3-methylimidazolium methyl sulfate, >=95%, 1H-Imidazolium, 1-butyl-3-methyl-, methyl sulfate, I14-47151, 1-Butyl-3-methylimidazolium methyl sulfate, >=97.0% (HPLC), 1-butyl-3-methylimidazol-3-ium,methyl sulfate,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.099g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.313g/mol
Monoisotopic Mass	250.099g/mol
Rotatable Bond Count	3
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	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

Lot Number