1-Hexylimidazole - CAS 33529-01-0

Catalog:	BB021759
Product Name:	1-Hexylimidazole
CAS:	33529-01-0
Synonyms:	1-hexylimidazole; 1-hexylimidazole

Technical Data

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Computed Properties

IUPAC Name:	1-hexylimidazole
Description:	1-Hexylimidazole (CAS# 33529-01-0 ) is a useful research chemical.
Molecular Weight:	152.24
Molecular Formula:	C9H16N2
Canonical SMILES:	CCCCCCN1C=CN=C1
InChI:	InChI=1S/C9H16N2/c1-2-3-4-5-7-11-8-6-10-9-11/h6,8-9H,2-5,7H2,1H3
InChI Key:	KGWVFQAPOGAVRF-UHFFFAOYSA-N
Boiling Point:	269.9 °C at 760 mmHg
Density:	0.93 g/cm³
LogP:	2.46340

Publication Number	Title	Priority Date
CN-112553006-A	Preparation method of osmanthus fragrans essence and controlled release method of osmanthus fragrans essence	20201203
CN-112250656-A	Method for catalytically synthesizing cyclic carbonate based on multi-active-center ionic liquid	20201103
CN-112251240-A	Quaternary ammonium salt ionic liquid crystal polymer with temperature control electronic switch performance and preparation method and application thereof	20201020
CN-111705292-A	Nitriding treatment method for hard alloy surface	20200713
WO-2021187352-A1	Polyether compound, ionic composition, and molded body	20200317

PMID	Publication Date	Title	Journal
14611845	20030901	Synthesis of N-alkylated derivatives of imidazole as antibacterial agents	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	93.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.131348519
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.131348519
Rotatable Bond Count:	5
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3