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Product No: CE6164

1-n-Butyl-3-methylimidazolium methyl sulfate, 98%

Name: 1-n-Butyl-3-methylimidazolium methyl sulfate
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

401788-98-5

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IUPAC name	1-butyl-3-methylimidazol-3-ium;methyl sulfate
canonical smiles	CCCCN1C=C[N+](=C1)C.COS(=O)(=O)[O-]
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
molecular formula	C9H18N2O4S
synonyms	401788-98-5 1-Butyl-3-methylimidazolium methyl sulfate 1-Butyl-3-methylimidazolium methylsulfate 1-butyl-3-methylimidazol-3-ium;methyl sulfate 3-Butyl-1-methyl-1H-imidazol-3-ium methyl sulfate

Computed Properties

Molecular Weight:	250.32 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	3
Exact Mass:	250.09872823 g/mol
Monoisotopic Mass:	250.09872823 g/mol
Topological Polar Surface Area:	83.6 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	184
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

Related Compounds

1-Ethyl-3-Methylimidazolium Ethylsulfate

1-Butyl-3-methylimidazolium methanesulfonate

1-Ethyl-3-methylimidazolium methyl sulfate

1-Butyl-3-methylimidazolium hydrogen sulfate

1,3-Dimethylimidazolium methylsulfate

3-methyl-1-vinyl-1H-imidazolium methyl sulphate

1-Butyl-3-methylimidazolium methyl sulfate

1-Ethyl-2,3-dimethylimidazolium ethyl sulfate

1,3-Diethylimidazolium ethylsulfate

1-Butyl-3-methylimidazolium hydroxide

1-Butyl-3-methylimidazolium 2-(2-methoxyethoxy)ethyl sulfate

1,2,3-Trimethylimidazolium methyl sulfate

1-Butyl-3-ethylimidazol-1-ium

(1-Butyl-3-ethylimidazol-1-ium-2-yl) trifluoromethanesulfonate

1-Ethyl-3-methylimidazolium n-butylsulfate

hazard signal	Danger
hazard classes and categories	Skin Corr. 1B (100%)
precautionary statement codes	P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
hazard statements	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	1-butyl-3-methylimidazol-3-ium;methyl sulfate
canonical smiles	CCCCN1C=C[N+](=C1)C.COS(=O)(=O)[O-]
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
molecular formula	C9H18N2O4S
synonyms	401788-98-5 1-Butyl-3-methylimidazolium methyl sulfate 1-Butyl-3-methylimidazolium methylsulfate 1-butyl-3-methylimidazol-3-ium;methyl sulfate 3-Butyl-1-methyl-1H-imidazol-3-ium methyl sulfate

Computed Properties

Molecular Weight:	250.32 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	3
Exact Mass:	250.09872823 g/mol
Monoisotopic Mass:	250.09872823 g/mol
Topological Polar Surface Area:	83.6 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	184
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

Related Compounds

1-Ethyl-3-Methylimidazolium Ethylsulfate

1-Butyl-3-methylimidazolium methanesulfonate

1-Ethyl-3-methylimidazolium methyl sulfate

1-Butyl-3-methylimidazolium hydrogen sulfate

1,3-Dimethylimidazolium methylsulfate

3-methyl-1-vinyl-1H-imidazolium methyl sulphate

1-Butyl-3-methylimidazolium methyl sulfate

1-Ethyl-2,3-dimethylimidazolium ethyl sulfate

1,3-Diethylimidazolium ethylsulfate

1-Butyl-3-methylimidazolium hydroxide

1-Butyl-3-methylimidazolium 2-(2-methoxyethoxy)ethyl sulfate

1,2,3-Trimethylimidazolium methyl sulfate

1-Butyl-3-ethylimidazol-1-ium

(1-Butyl-3-ethylimidazol-1-ium-2-yl) trifluoromethanesulfonate

1-Ethyl-3-methylimidazolium n-butylsulfate

hazard signal	Danger
hazard classes and categories	Skin Corr. 1B (100%)
precautionary statement codes	P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
hazard statements	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Product No: CE6164

1-n-Butyl-3-methylimidazolium methyl sulfate, 98%

Product No: CE6164

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CE6164

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?