Methyl 1-Methylimidazole-4-carboxylate - CAS 17289-19-9

Name: Methyl 1-Methylimidazole-4-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012867
Product Name:	Methyl 1-Methylimidazole-4-carboxylate
CAS:	17289-19-9
Synonyms:	1-methyl-4-imidazolecarboxylic acid methyl ester; methyl 1-methylimidazole-4-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 1-methylimidazole-4-carboxylate
Description:	Methyl 1-Methylimidazole-4-carboxylate (CAS# 17289-19-9) is a useful research chemical.
Molecular Weight:	140.14
Molecular Formula:	C6H8N2O2
Canonical SMILES:	CN1C=C(N=C1)C(=O)OC
InChI:	InChI=1S/C6H8N2O2/c1-8-3-5(7-4-8)6(9)10-2/h3-4H,1-2H3
InChI Key:	KZPZTVKOJSKVBV-UHFFFAOYSA-N
Boiling Point:	284.6 °C at 760 mmHg
Density:	1.18 g/cm³
LogP:	0.20670

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2021292301-A1	Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors	20200213
WO-2021160718-A1	Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors	20200213
WO-2021147940-A1	Pd-1/pd-l1 inhibitor, preparation method therefor, and use thereof	20200121
US-2021300912-A1	Aryl hydrocarbon receptor (ahr) agonists and uses thereof	20191220
WO-2021127302-A1	2-(1h-indole-3-carbonyl)-thiazole-4-carboxamide derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.058577502
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	140.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	44.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2