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α-[(Dimethylamino)methylene]-β-oxo[1,1′-biphenyl]-4-propanenitrile

α-[(Dimethylamino)methylene]-β-oxo[1,1′-biphenyl]-4-propanenitrile structure

CAS No:
138716-53-7
Formula:
C18H16N2O
Chemical Name:
α-[(Dimethylamino)methylene]-β-oxo[1,1′-biphenyl]-4-propanenitrile
Synonyms:
[1,1′-Biphenyl]-4-propanenitrile,α-[(dimethylamino)methylene]-β-oxo-;α-[(Dimethylamino)methylene]-β-oxo[1,1′-biphenyl]-4-propanenitrile;2-([1,1′-Biphenyl]-4-carbonyl)-3-(dimethylamino)acrylonitrile;2-[(Dimethylamino)methylene]-3-(biphenyl-4-yl)-3-oxopropanenitrile

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α-[(Dimethylamino)methylene]-β-oxo[1,1′-biphenyl]-4-propanenitrile Basic Attributes

Molecular Weight：

276.33200

Exact Mass：

276.33

DSSTox ID：

DTXSID60654088

HScode：

2926909090

Characteristics

PSA：

44.10000

XLogP3：

3.50538

Density：

1.122 g/cm3

Boiling Point：

509.614ºC at 760 mmHg

Flash Point：

262.005ºC

Refractive Index：

1.588

Vapor Pressure：

1.67E-10mmHg at 25°C

Safety Information

Marks：

Computed Properties

Molecular Weight:276.3
XLogP3:3.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:276.126263138
Monoisotopic Mass:276.126263138
Topological Polar Surface Area:44.1
Heavy Atom Count:21
Complexity:429
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of α-[(Dimethylamino)methylene]-β-oxo[1,1′-biphenyl]-4-propanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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