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3731-38-2

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3731-38-2 Structure

3731-38-2 Structure
IdentificationBack Directory
[Name]

3-QUINUCLIDINONE
[CAS]

3731-38-2
[Synonyms]

3-QUINUCLIDINONE
QUINUCLIDIN-3-ONE
1-Azabicyclo[2.2.2]octan-3-one
Solifenacin Related Compound 22
1-Azabicyclo[2.2.2]octan-3-one, Base form
Solifenacin Related Compound 22 (3-Quinuclidinone)
[EINECS(EC#)]

223-087-9
[Molecular Formula]

C7H11NO
[MDL Number]

MFCD06801385
[MOL File]

3731-38-2.mol
[Molecular Weight]

125.17
Chemical PropertiesBack Directory
[Melting point ]

200 °C
[Boiling point ]

204.9±23.0 °C(Predicted)
[density ]

1.12±0.1 g/cm3(Predicted)
[pka]

6.73±0.20(Predicted)
[InChI]

InChI=1S/C7H11NO/c9-7-5-8-3-1-6(7)2-4-8/h6H,1-5H2
[InChIKey]

ZKMZPXWMMSBLNO-UHFFFAOYSA-N
[SMILES]

N12CCC(CC1)C(=O)C2
[NIST Chemistry Reference]

1-Azabicyclo[2.2.2]octan-3-one(3731-38-2)
[EPA Substance Registry System]

1-Azabicyclo[2.2.2]octan-3-one (3731-38-2)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H332-H312-H302-H411
[Precautionary statements ]

P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29333990
Hazard InformationBack Directory
[Uses]

3-Quinuclidinone is used in preparation of Maropitant.
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