1-Ethylimidazole-5-carbaldehyde - CAS 842972-42-3

Catalog:	BB037165
Product Name:	1-Ethylimidazole-5-carbaldehyde
CAS:	842972-42-3
Synonyms:	3-ethyl-4-imidazolecarboxaldehyde; 3-ethylimidazole-4-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	3-ethylimidazole-4-carbaldehyde
Description:	1-Ethylimidazole-5-carbaldehyde (CAS# 842972-42-3) is a useful research chemical.
Molecular Weight:	124.14
Molecular Formula:	C6H8N2O
Canonical SMILES:	CCN1C=NC=C1C=O
InChI:	InChI=1S/C6H8N2O/c1-2-8-5-7-3-6(8)4-9/h3-5H,2H2,1H3
InChI Key:	VHWIECSRYTXFHX-UHFFFAOYSA-N
Boiling Point:	299 °C at 760 mmHg
Density:	1.1 g/cm³
MDL:	MFCD07186428
LogP:	0.71550

Publication Number	Title	Priority Date
WO-2020103815-A1	Glp-1r agonists and uses thereof	20181122
US-10844049-B2	GLP-1R agonists and uses thereof	20181122
US-2020283424-A1	Glp-1r agonists and uses thereof	20181122
CN-113227068-A	GLP-1R agonists and uses thereof	20181122
EP-3883928-A1	Glp-1r agonists and uses thereof	20181122

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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:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	124.063662883
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	124.063662883
Rotatable Bond Count:	2
Topological Polar Surface Area:	34.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1