4-Isopropylimidazole - CAS 58650-48-9

Catalog:	BB030114
Product Name:	4-Isopropylimidazole
CAS:	58650-48-9
Synonyms:	5-propan-2-yl-1H-imidazole; 5-propan-2-yl-1H-imidazole

Technical Data

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Computed Properties

IUPAC Name:	5-propan-2-yl-1H-imidazole
Description:	4-Isopropylimidazole (CAS# 58650-48-9) is used for rate acceleration of imidazole-promoted Baylis-Hillman reaction of cyclic enones with aldehydes in basic water solution.
Molecular Weight:	110.16
Molecular Formula:	C6H10N2
Canonical SMILES:	CC(C)C1=CN=CN1
InChI:	InChI=1S/C6H10N2/c1-5(2)6-3-7-4-8-6/h3-5H,1-2H3,(H,7,8)
InChI Key:	HINMGNHBDCADKG-UHFFFAOYSA-N
LogP:	1.53310

Publication Number	Title	Priority Date
US-2021275689-A1	Processes of preparing mrna-loaded lipid nanoparticles	20200225
US-2021222308-A1	Catalyst, method for producing catalyst, carbon dioxide reduction electrode, laminated assembly, and carbon dioxide reduction apparatus	20200122
WO-2021149433-A1	Catalyst, method for producing catalyst, carbon dioxide reduction electrode, multilayer body, and carbon dioxide reduction device	20200122
JP-2021115476-A	Odor substance adsorbent	20200121
WO-2021123237-A1	2-amino-n-(amino-oxo-aryl-lambda6-sulfanylidene)acetamide compounds and their therapeutic use	20191219

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	70.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.084398327
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	110.084398327
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2