Ethyl 1-Methylimidazole-5-carboxylate - CAS 66787-70-0

Catalog:	BB033101
Product Name:	Ethyl 1-Methylimidazole-5-carboxylate
CAS:	66787-70-0
Synonyms:	3-methyl-4-imidazolecarboxylic acid ethyl ester; ethyl 3-methylimidazole-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-methylimidazole-4-carboxylate
Description:	Ethyl 1-Methylimidazole-5-carboxylate (CAS# 66787-70-0) is a useful research chemical.
Molecular Weight:	154.17
Molecular Formula:	C7H10N2O2
Canonical SMILES:	CCOC(=O)C1=CN=CN1C
InChI:	InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-8-5-9(6)2/h4-5H,3H2,1-2H3
InChI Key:	AIPYAGWNEMVIJQ-UHFFFAOYSA-N
Boiling Point:	294.9 °C at 760 mmHg
Density:	1.14 g/cm³
LogP:	0.59680

Publication Number	Title	Priority Date
WO-2020085493-A1	Novel indazole compound or salt thereof	20181026
WO-2019137995-A1	Novel pyridazine compounds for controlling invertebrate pests	20180111
WO-2018064119-A1	Calpain modulators and therapeutic uses thereof	20160928
EP-3183250-A1	Process for preparing crystalline organic semiconductor material	20140818
JP-2017528447-A	Method for producing crystalline organic semiconductor material	20140818

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Complexity:	149
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:	3
Topological Polar Surface Area:	44.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6