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Ethyl 1-azabicyclo[2.2.2]octane-3-carboxylate

Ethyl 1-azabicyclo[2.2.2]octane-3-carboxylate structure

CAS No:
6238-33-1
Formula:
C10H17NO2
Chemical Name:
Ethyl 1-azabicyclo[2.2.2]octane-3-carboxylate
Synonyms:
1-Azabicyclo[2.2.2]octane-3-carboxylic acid,ethyl ester;3-Quinuclidinecarboxylic acid,ethyl ester;Ethyl 1-azabicyclo[2.2.2]octane-3-carboxylate;Ethyl 3-quinuclidinecarboxylate;3-Carbethoxyquinuclidine;105523-12-4

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Ethyl 1-azabicyclo[2.2.2]octane-3-carboxylate Basic Attributes

Molecular Weight：

183.24700

Exact Mass：

183.25

EC Number：

613-022-6

DSSTox ID：

DTXSID00365540

Characteristics

PSA：

29.54000

XLogP3：

0.82920

Density：

1.51g/cm3

Boiling Point：

123-124 °C @ Press: 15 Torr

Flash Point：

299.2ºC

Refractive Index：

1.726

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:183.25
XLogP3:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:183.125928785
Monoisotopic Mass:183.125928785
Topological Polar Surface Area:29.5
Heavy Atom Count:13
Complexity:197
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 1-azabicyclo[2.2.2]octane-3-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Ethyl 1-azabicyclo[2.2.2]octane-3-carboxylate

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