Methyl benzimidate hydrochloride - CAS 5873-90-5

Catalog:	BB030144
Product Name:	Methyl benzimidate hydrochloride
CAS:	5873-90-5
Synonyms:	methyl benzenecarboximidate;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	methyl benzenecarboximidate;hydrochloride
Description:	Methyl benzimidate hydrochloride (CAS# 5873-90-5) is a useful research chemical.
Molecular Weight:	171.62
Molecular Formula:	C8H10ClNO
Canonical SMILES:	COC(=N)C1=CC=CC=C1.Cl
InChI:	InChI=1S/C8H9NO.ClH/c1-10-8(9)7-5-3-2-4-6-7;/h2-6,9H,1H3;1H
InChI Key:	HDJNHVNQRJMWSH-UHFFFAOYSA-N
Boiling Point:	171.1 ℃ at 760 mmHg
MDL:	MFCD00012575
LogP:	2.56010

Publication Number	Title	Priority Date
JP-2018131431-A	Hydrazone derivatives and pest control agents	20160531
AU-2017242225-A1	N1-(3,3,3-trifluoro-2-hydroxy-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase	20160329
CA-3019240-A1	N1-(3,3,3-trifluoro-2-hydroxy-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase	20160329
CN-108779093-A	N1- (tri- fluoro- 2- hydroxy-2-methyls propionos of 3,3,3-)-piperidine derivative of inhibitor as pyruvic dehydrogenase kinase	20160329
EP-3436443-A1	N1-(3,3,3-trifluoro-2-hydroxy-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase	20160329

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[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
[618-40-6]
1-Methyl-1-phenylhydrazine

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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:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0450916
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	171.0450916
Rotatable Bond Count:	2
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0