Methyl 2,2-Diethoxyacetimidate - CAS 76742-48-8

Catalog:	BB035689
Product Name:	Methyl 2,2-Diethoxyacetimidate
CAS:	76742-48-8
Synonyms:	2,2-diethoxyethanimidic acid methyl ester; methyl 2,2-diethoxyethanimidate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2,2-diethoxyethanimidate
Description:	Methyl 2,2-Diethoxyacetimidate (CAS# 76742-48-8) is a useful research chemical.
Molecular Weight:	161.20
Molecular Formula:	C7H15NO3
Canonical SMILES:	CCOC(C(=N)OC)OCC
InChI:	InChI=1S/C7H15NO3/c1-4-10-7(11-5-2)6(8)9-3/h7-8H,4-5H2,1-3H3
InChI Key:	YKOUABZEDZDJEY-UHFFFAOYSA-N
Boiling Point:	159 °C at 760 mmHg
Density:	1.01 g/cm³
LogP:	1.10890

Publication Number	Title	Priority Date
US-2021246140-A1	Modulators of metabotropic glutamate receptor 2	20200131
WO-2021155196-A1	Modulators of metabotropic glutamate receptor 2	20200131
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CN-110981813-A	Synthetic method of 2-cyano-5-aryl-1H-imidazole compound	20191219
CN-111100071-A	Method for synthesizing 2-cyano-5-aryl-1H-imidazole compound	20191219

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Related Functional Groups

Nitrogen Compounds

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]
1-Benzofuran-3-carbonitrile
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.10519334
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.10519334
Rotatable Bond Count:	6
Topological Polar Surface Area:	51.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8