1-Propargylimidazole - CAS 18994-77-9

Catalog:	BB014682
Product Name:	1-Propargylimidazole
CAS:	18994-77-9
Synonyms:	1-prop-2-ynylimidazole; 1-prop-2-ynylimidazole

Technical Data

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Computed Properties

IUPAC Name:	1-prop-2-ynylimidazole
Description:	1-Propargylimidazole (CAS# 18994-77-9) is a useful research chemical.
Molecular Weight:	106.13
Molecular Formula:	C6H6N2
Canonical SMILES:	C#CCN1C=CN=C1
InChI:	InChI=1S/C6H6N2/c1-2-4-8-5-3-7-6-8/h1,3,5-6H,4H2
InChI Key:	UGOQKSGJGCADAG-UHFFFAOYSA-N
Boiling Point:	99-101 °C (2 mmHg)
LogP:	0.51630

Publication Number	Title	Priority Date
CN-112939708-A	Imidazole and pyrazole combustion rate catalyst containing ferrocenyl methyl-1, 2, 3-triazolyl group and preparation method thereof	20210208
CN-112778377-A	Ferrocene burning-rate catalyst containing bis (imidazole or pyrazole-1, 2, 3-triazole) group and preparation method thereof	20210114
CN-111039871-A	Cyanoborohydride imidazole metal complex and preparation method thereof	20191219
CN-111039871-B	Cyanoborohydride imidazole metal complex and preparation method thereof	20191219
WO-2020118238-A1	Quaternary ammonium salts as inhibitors of trimethylamine production	20181206

PMID	Publication Date	Title	Journal
17477453	20070101	Molecular assemblies from imidazolyl-containing haloalkenes and haloalkynes: competition between halogen and hydrogen bonding	Chemistry (Weinheim an der Bergstrasse, Germany)
16095282	20050819	Synthesis of indeno-fused derivatives of quinolizinium salts, imidazo[1,2-a]pyridine, pyrido[1,2-a]indole, and 4h-quinolizin-4-one via benzannulated enyne-allenes	The Journal of organic chemistry

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Complexity:	111
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	106.0530982
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	106.0530982
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2