Ethyl 2,4-Dimethylimidazole-5-carboxylate - CAS 500890-03-9

Catalog:	BB026916
Product Name:	Ethyl 2,4-Dimethylimidazole-5-carboxylate
CAS:	500890-03-9
Synonyms:	2,5-dimethyl-1H-imidazole-4-carboxylic acid ethyl ester; ethyl 2,5-dimethyl-1H-imidazole-4-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2,5-dimethyl-1H-imidazole-4-carboxylate
Description:	Ethyl 2,4-Dimethylimidazole-5-carboxylate (CAS# 500890-03-9) is a useful research chemical.
Molecular Weight:	168.19
Molecular Formula:	C8H12N2O2
Canonical SMILES:	CCOC(=O)C1=C(NC(=N1)C)C
InChI:	InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-6(3)10-7/h4H2,1-3H3,(H,9,10)
InChI Key:	YPOXNCMNUICELH-UHFFFAOYSA-N
LogP:	1.20320

Publication Number	Title	Priority Date
TW-202003510-A	Oxadiazole transient receptor potential channel inhibitors	20180319
US-2019284179-A1	Oxadiazole transient receptor potential channel inhibitors	20180319
WO-2019182925-A1	Oxadiazole transient receptor potential channel inhibitors	20180319
AU-2019237992-A1	Oxadiazole transient receptor potential channel inhibitors	20180319
CN-111867585-A	Oxadiazole transient receptor potential channel inhibitors	20180319

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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:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.089877630
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.089877630
Rotatable Bond Count:	3
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4