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2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]benzonitrile

2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]benzonitrile structure

CAS No:
145657-28-9
Formula:
C15H16N2O
Chemical Name:
2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]benzonitrile

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2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]benzonitrile Basic Attributes

Molecular Weight：

240.30000

Exact Mass：

240.126263138 g/mol

DSSTox ID：

DTXSID40163128

Characteristics

PSA：

52.89000

XLogP3：

3.31618

Density：

1.14g/cm3

Boiling Point：

397.3ºC at 760mmHg

Flash Point：

194.1ºC

Refractive Index：

1.576

Vapor Pressure：

1.61E-06mmHg at 25°C

Computed Properties

Molecular Weight:240.30
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:240.126263138
Monoisotopic Mass:240.126263138
Topological Polar Surface Area:52.9
Heavy Atom Count:18
Complexity:414
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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