4,5-Dimethylimidazole-2-carbaldehyde - CAS 118474-44-5

Catalog:	BB004115
Product Name:	4,5-Dimethylimidazole-2-carbaldehyde
CAS:	118474-44-5
Synonyms:	4,5-dimethyl-1H-imidazole-2-carboxaldehyde; 4,5-dimethyl-1H-imidazole-2-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,5-dimethyl-1H-imidazole-2-carbaldehyde
Description:	4,5-Dimethylimidazole-2-carbaldehyde (CAS# 118474-44-5) is a useful research chemical.
Molecular Weight:	124.14
Molecular Formula:	C6H8N2O
Canonical SMILES:	CC1=C(N=C(N1)C=O)C
InChI:	InChI=1S/C6H8N2O/c1-4-5(2)8-6(3-9)7-4/h3H,1-2H3,(H,7,8)
InChI Key:	BOXPJRBSLSQXKA-UHFFFAOYSA-N
Boiling Point:	314.2 °C at 760 mmHg
Density:	1.18 g/cm³
Storage:	Inert atmosphere, Room Temperature
LogP:	0.83900

Publication Number	Title	Priority Date
WO-2021096948-A1	Allosteric egfr inhibitors and methods of use thereof	20191111
AU-2015284135-B2	Heteroaryl compounds useful as inhibitors of SUMO activating enzyme	20140701
JP-2013256467-A	Imidazole silane compound, synthesis method, and use thereof	20120613
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
US-2013281324-A1	Bi-functinal complexes and methods for making and using such complexes	20100416

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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
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	116
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	124.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7