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ethyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate;iodide

ethyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate;iodide structure

CAS No:
5822-68-4
Formula:
C10H18INO2
Chemical Name:
ethyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate;iodide
Synonyms:
5822-68-4;1-Methyl-3-carboethoxy-1,2,5,6-tetrahydropyridinium iodide;DTXSID00973785;ethyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide;Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, ethyl ester;5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide

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ethyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate;iodide Basic Attributes

Molecular Weight：

311.16 g/mol

Exact Mass：

311.03823 g/mol

Characteristics

PSA：

26.3 Å²

XLogP3：

-2.0812

Melting Point：

147 °C (diethyl ether)

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Intravenous	Rodent - mouse	45 mg/kg	Details of toxic effects not reported other than lethal dose value--	U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#12540

Computed Properties

Molecular Weight:311.16
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:311.03823
Monoisotopic Mass:311.03823
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:231
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of ethyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate;iodide

Basic Attributes
Characteristics
Toxicity
Computed Properties
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