1-Allyl-3-methyl-3-imidazolium Tetrafluoroborate - CAS 851606-63-8

Catalog:	BB037516
Product Name:	1-Allyl-3-methyl-3-imidazolium Tetrafluoroborate
CAS:	851606-63-8
Synonyms:	1-methyl-3-prop-2-enylimidazol-1-ium;tetrafluoroborate; 1-methyl-3-prop-2-enylimidazol-1-ium;tetrafluoroborate

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Computed Properties

IUPAC Name:	1-methyl-3-prop-2-enylimidazol-1-ium;tetrafluoroborate
Description:	1-Allyl-3-methyl-3-imidazolium Tetrafluoroborate (CAS# 851606-63-8 ) is a useful research chemical.
Molecular Weight:	209.98
Molecular Formula:	C7H11F4N2B
Canonical SMILES:	[B-](F)(F)(F)F.C[N+]1=CN(C=C1)CC=C
InChI:	InChI=1S/C7H11N2.BF4/c1-3-4-9-6-5-8(2)7-9;2-1(3,4)5/h3,5-7H,1,4H2,2H3;/q+1;-1
InChI Key:	RGPHDVUJHZMMLN-UHFFFAOYSA-N
LogP:	1.79860

Publication Number	Title	Priority Date
US-2016326095-A1	One-pot water-free ionic liquids synthesis using trialkyl orthoesters	20131230
US-9919997-B2	One-pot water-free ionic liquids synthesis using trialkyl orthoesters	20131230

PMID	Publication Date	Title	Journal
21472161	20110607	Application of ionic liquids in the microwave-assisted extraction of podophyllotoxin from Chinese herbal medicine	The Analyst

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Complexity:	120
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.0951412
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.0951412
Rotatable Bond Count:	2
Topological Polar Surface Area:	8.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0