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2-[(DIMETHYLAMINO)METHYLENE]-3-(4-METHYLPHENYL)-3-OXO-PROPANENITRILE

2-[(DIMETHYLAMINO)METHYLENE]-3-(4-METHYLPHENYL)-3-OXO-PROPANENITRILE structure

CAS No:
96232-41-6
Formula:
C13H14N2O
Chemical Name:
2-[(DIMETHYLAMINO)METHYLENE]-3-(4-METHYLPHENYL)-3-OXO-PROPANENITRILE
Synonyms:
3-(DIMETHYLAMINO)-2-(4-METHYLBENZOYL)ACRYLONITRILE;2-[(DIMETHYLAMINO)METHYLENE]-3-(4-METHYLPHENYL)-3-OXO-PROPANENITRILE;(Z)-3-(dimethylamino)-2-(4-methylbenzoyl)prop-2-enenitrile;2-[(DIMETYLAMINO)METHYLENE]-3-(4-METHYLPHENYL)-3-OXO-PROPANENITRILE;2-[(DIMETHYLAMINO)METHYLENE]-3-(4-METHYLPHENYL)-3-OXO-PROPANENITRILE, 95+%;Benzenepropanenitrile, α-[(dimethylamino)methylene]-4-methyl-β-oxo-

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2-[(DIMETHYLAMINO)METHYLENE]-3-(4-METHYLPHENYL)-3-OXO-PROPANENITRILE Basic Attributes

Molecular Weight：

214.27

Exact Mass：

214.110613074

DSSTox ID：

DTXSID40654086

Characteristics

Density：

1.085±0.06 g/cm3

Melting Point：

132-134°

Boiling Point：

420.9±45.0 °C(Predicted)

PKA：

1.27±0.70

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:214.26
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:214.110613074
Monoisotopic Mass:214.110613074
Topological Polar Surface Area:44.1
Heavy Atom Count:16
Complexity:327
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(DIMETHYLAMINO)METHYLENE]-3-(4-METHYLPHENYL)-3-OXO-PROPANENITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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