1-Butyl-2,3-dimethyl-3-imidazolium Bromide - CAS 475575-45-2

Catalog:	BB026345
Product Name:	1-Butyl-2,3-dimethyl-3-imidazolium Bromide
CAS:	475575-45-2
Synonyms:	1-butyl-2,3-dimethylimidazol-3-ium;bromide; 1-butyl-2,3-dimethylimidazol-3-ium;bromide

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Computed Properties

IUPAC Name:	1-butyl-2,3-dimethylimidazol-3-ium;bromide
Description:	1-Butyl-2,3-dimethyl-3-imidazolium Bromide (CAS# 475575-45-2 ) is a useful research chemical.
Molecular Weight:	233.15
Molecular Formula:	C9H17BrN2
Canonical SMILES:	CCCCN1C=C[N+](=C1C)C.[Br-]
InChI:	InChI=1S/C9H17N2.BrH/c1-4-5-6-11-8-7-10(3)9(11)2;/h7-8H,4-6H2,1-3H3;1H/q+1;/p-1
InChI Key:	USOIOQCOUFEVEB-UHFFFAOYSA-M
LogP:	-1.57490

Publication Number	Title	Priority Date
CN-112892587-A	Method for preparing ethylene glycol by efficiently catalyzing hydration reaction of ethylene oxide	20210122
KR-20200037155-A	Sodium Secondary Battery having Graphite Felt as a Current Collector	20200320
KR-102125755-B1	Sodium Secondary Battery having Graphite Felt as a Current Collector	20200320
JP-WO2021060234-A1	RuO4 gas generation inhibitor and RuO4 gas generation suppression method	20190927
WO-2021060234-A1	RuO4 GAS GENERATION SUPPRESSION AGENT, AND RuO4 GAS GENERATION SUPPRESSION METHOD	20190927

PMID	Publication Date	Title	Journal
21417478	20110414	Effects of methylation at position 2 of cation ring on rotational dynamics of imidazolium-based ionic liquids investigated by NMR spectroscopy: [C4mim]Br vs [C4C1mim]Br	The journal of physical chemistry. A
18924176	20080101	Imidazolium-based ionic liquids for the efficient treatment of iron gall inked papers	ChemSusChem

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Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.05751
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.05751
Rotatable Bond Count:	3
Topological Polar Surface Area:	8.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0