Ethyl 2-(1-Imidazolyl)acetate - CAS 17450-34-9

Catalog:	BB013015
Product Name:	Ethyl 2-(1-Imidazolyl)acetate
CAS:	17450-34-9
Synonyms:	2-(1-imidazolyl)acetic acid ethyl ester; ethyl 2-imidazol-1-ylacetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-imidazol-1-ylacetate
Description:	Ethyl 2-(1-Imidazolyl)acetate (CAS# 17450-34-9) is a useful research chemical.
Molecular Weight:	154.17
Molecular Formula:	C7H10N2O2
Canonical SMILES:	CCOC(=O)CN1C=CN=C1
InChI:	InChI=1S/C7H10N2O2/c1-2-11-7(10)5-9-4-3-8-6-9/h3-4,6H,2,5H2,1H3
InChI Key:	OITZNDMCFHYWLX-UHFFFAOYSA-N
Boiling Point:	293 °C at 760 mmHg
Density:	1.14 g/cm³
MDL:	MFCD05149485
LogP:	0.44620

Publication Number	Title	Priority Date
CN-111303040-A	Method for preparing imidazole-1-acetic acid by one-pot method	20200325
WO-2017205622-A1	Method of making benznidazole	20160525
US-2018282331-A1	7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS	20151109
WO-2017081615-A1	7-oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections	20151109
KR-20160060034-A	Cyclic amine derivative and pharmaceutical use thereof	20130926

PMID	Publication Date	Title	Journal
19272678	20090801	Synthesis and antitubercular screening of imidazole derivatives	European journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.074227566
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.074227566
Rotatable Bond Count:	4
Topological Polar Surface Area:	44.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4