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3-Quinuclidinone

3-Quinuclidinone structure

CAS No:
3731-38-2
Formula:
C7H11NO
Chemical Name:
3-Quinuclidinone
Synonyms:
1-Azabicyclo[2.2.2]octan-3-one;3-Quinuclidinone;3-Oxoquinuclidine;3-Quinuclidone;NSC 168448;4-Azabicyclo[2.2.2]octan-2-one;29924-73-0;82737-04-0
Categories:
Food Additives > Other Food Additives

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3-Quinuclidinone Basic Attributes

Molecular Weight：

125.168

Exact Mass：

125.17

EC Number：

223-087-9

NSC Number：

168448

DSSTox ID：

DTXSID0063151

HScode：

2933399040

Characteristics

PSA：

20.31000

XLogP3：

0.03

Density：

1.1±0.1 g/cm3

Melting Point：

200 °C

Boiling Point：

204.9±23.0 °C at 760 mmHg

Flash Point：

78.1±12.0 °C

Refractive Index：

1.530

Safety Information

Precautionary statement(s)：

P260, P261, P264, P270, P271, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P391, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P391, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-quinuclidinone

3-Quinuclidinone Use and Manufacturing

Manufacturing Info：

1-Azabicyclo[2.2.2]octan-3-one: INACTIVE

Computed Properties

Molecular Weight:125.17
XLogP3:0.3
Hydrogen Bond Acceptor Count:2
Exact Mass:125.084063974
Monoisotopic Mass:125.084063974
Topological Polar Surface Area:20.3
Heavy Atom Count:9
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes