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2-Benzylidene-3-quinuclidinone

2-Benzylidene-3-quinuclidinone structure

CAS No:
24123-89-5
Formula:
C14H15NO
Chemical Name:
2-Benzylidene-3-quinuclidinone
Synonyms:
1-Azabicyclo[2.2.2]octan-3-one,2-(phenylmethylene)-;3-Quinuclidinone,2-benzylidene-;2-(Phenylmethylene)-1-azabicyclo[2.2.2]octan-3-one;2-Benzylidene-3-quinuclidinone;NSC 53077;2-Benzylidene-1-azabicyclo[2.2.2]octan-3-one;66113-53-9

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2-Benzylidene-3-quinuclidinone Basic Attributes

Molecular Weight：

213.27500

Exact Mass：

213.27

EC Number：

607-326-8

NSC Number：

53077

Characteristics

PSA：

20.31000

XLogP3：

2.26010

Density：

1.17g/cm3

Melting Point：

133 °C

Boiling Point：

388.2ºC

Flash Point：

159.3ºC

Refractive Index：

1.616

Vapor Pressure：

3.12E-06mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:213.27
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:213.115364102
Monoisotopic Mass:213.115364102
Topological Polar Surface Area:20.3
Heavy Atom Count:16
Complexity:307
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Benzylidene-3-quinuclidinone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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