2-(Biphenyl-4-ylcarbonyl)-3-(dimethylamino)acrylonitrile supplier

Name
2-[(DIMETHYLAMINO)METHYLENE]-3-(4-BIPHENYLYL)-3-OXO-PROPANENITRILE
EINECS 604-604-1
CAS No. 138716-53-7
Density 1.122 g/cm³
Solubility
Melting Point
Formula C₁₈H₁₆N₂O
Boiling Point 509.614 °C at 760 mmHg
Molecular Weight 276.33
Flash Point 262.005 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-[(Dimethylamino)methylene]-3-(4-biphenylyl)-3-oxo-propanenitrile;
PSA 44.10000
LogP 3.50538

2-(Biphenyl-4-ylcarbonyl)-3-(dimethylamino)acrylonitrile Specification

The 2-(Biphenyl-4-ylcarbonyl)-3-(dimethylamino)acrylonitrile, with the CAS registry number 138716-53-7, is also known as 2-[(Dimethylamino)methylene]-3-(4-biphenylyl)-3-oxo-propanenitrile. This chemical's molecular formula is C₁₈H₁₆N₂O and molecular weight is 276.33. What's more, its IUPAC name is 3-(Dimethylamino)-2-(4-phenylbenzoyl)prop-2-enenitrile. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 2-(Biphenyl-4-ylcarbonyl)-3-(dimethylamino)acrylonitrile are: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.728; (4)ACD/LogD (pH 7.4): 3.729; (5)ACD/BCF (pH 5.5): 401.462; (6)ACD/BCF (pH 7.4): 401.488; (7)ACD/KOC (pH 5.5): 2542.64; (8)ACD/KOC (pH 7.4): 2542.805; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.1 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 82.94 cm³; (15)Molar Volume: 246.328 cm³; (16)Polarizability: 32.88×10^-24 cm³; (17)Surface Tension: 46.236 dyne/cm; (18)Density: 1.122 g/cm³; (19)Flash Point: 262.005 °C; (20)Enthalpy of Vaporization: 78.019 kJ/mol; (21)Boiling Point: 509.614 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CN(C)C=C(C#N)C(=O)c1ccc(cc1)c2ccccc2
(2) InChI: InChI=1/C18H16N2O/c1-20(2)13-17(12-19)18(21)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,1-2H3
(3) InChIKey: AYEFOUQDSVWIDL-UHFFFAOYAQ

Product Name

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

2-(Biphenyl-4-ylcarbonyl)-3-(dimethylamino)acrylonitrile Specification

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