Ethyl 4-Quinuclidinecarboxylate - CAS 22766-68-3

Name: Ethyl 4-Quinuclidinecarboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB065551
Product Name:	Ethyl 4-Quinuclidinecarboxylate
CAS:	22766-68-3
Synonyms:	Ethyl quinuclidine-4-carboxylate; ethyl 1-azabicyclo[2.2.2]octane-4-carboxylate; Ethyl 4-quinuclidinecarboxylate; 1-Azabicyclo[2.2.2]octane-4-carboxylic acid, ethyl ester; 1-Azabicyclo[2.2.2]octane-4-carboxylic acid ethyl ester; 4-Quinuclidinecarboxylic acid, ethyl ester; EthylQuinuclidine-4-carboxylate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	ethyl 1-azabicyclo[2.2.2]octane-4-carboxylate
Molecular Weight:	183.25
Molecular Formula:	C10H17NO2
Canonical SMILES:	CCOC(=O)C12CCN(CC1)CC2
InChI:	InChI=1S/C10H17NO2/c1-2-13-9(12)10-3-6-11(7-4-10)8-5-10/h2-8H2,1H3
InChI Key:	MMXIVBVOFFBDEB-UHFFFAOYSA-N

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.125928785
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	183.125928785
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9