Ethyl 4-Quinuclidinecarboxylate - CAS 22766-68-3
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 |
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 |
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: | 29.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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