Home >> Chemicals Listing >> hot product list by A  

Acetamide,N-[4-(2,2-dicyanoethenyl)phenyl]- (26088-79-9)

Identification
Name:Acetamide,N-[4-(2,2-dicyanoethenyl)phenyl]-
Synonyms:Acetanilide,4'-(2,2-dicyanovinyl)- (6CI,7CI);Malononitrile, (p-acetamidobenzylidene)-(8CI);N-[4-(2,2-Dicyanovinyl)phenyl]acetamide;NSC 56077;
CAS:26088-79-9
Molecular Formula: C12H9N3O
Molecular Weight: 211.22
InChI: InChI=1/C12H9N3O/c1-9(16)15-12-4-2-10(3-5-12)6-11(7-13)8-14/h2-6H,1H3,(H,15,16)
Molecular Structure: (C12H9N3O) Acetanilide,4'-(2,2-dicyanovinyl)- (6CI,7CI);Malononitrile, (p-acetamidobenzylidene)-(8CI);N-[4-(2,2...
Properties
Density:1.268 g/cm3
Refractive index:1.649
Appearance:Thin and yellow powder form
Specification:

The CAS register number of 2-(4-Acetamidobenzylidene)malononitrile is 26088-79-9. It also can be called as Acetamide,N-[4-(2,2-dicyanoethenyl)phenyl]- and the IUPAC name about this chemical is N-[4-(2,2-dicyanoethenyl)phenyl]acetamide.

Physical properties about 2-(4-Acetamidobenzylidene)malononitrile are: (1)ACD/LogP: 0.84; (2)ACD/LogD (pH 5.5): 0.84; (3)ACD/LogD (pH 7.4): 0.84; (4)ACD/BCF (pH 5.5): 2.55; (5)ACD/BCF (pH 7.4): 2.55; (6)ACD/KOC (pH 5.5): 68.05; (7)ACD/KOC (pH 7.4): 68.05; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 67.89Å2; (12)Index of Refraction: 1.649; (13)Molar Refractivity: 60.71 cm3; (14)Molar Volume: 166.5 cm3; (15)Polarizability: 24.07x10-24cm3; (16)Surface Tension: 61.5 dyne/cm; (17)Enthalpy of Vaporization: 73.91 kJ/mol; (18)Boiling Point: 475.6 °C at 760 mmHg; (19)Vapour Pressure: 3.29E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)\C=C(/C#N)C#N)C
(2)InChI: InChI=1/C12H9N3O/c1-9(16)15-12-4-2-10(3-5-12)6-11(7-13)8-14/h2-6H,1H3,(H,15,16)
(3)InChIKey: HDJOIOGUBRECCC-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C12H9N3O/c1-9(16)15-12-4-2-10(3-5-12)6-11(7-13)8-14/h2-6H,1H3,(H,15,16)
(5)Std. InChIKey: HDJOIOGUBRECCC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03259,

Safety Data
 

Other Product