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N,N'-(1,4-Phenylene)bis(acetoacetamide)

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Name

N,N'-(1,4-Phenylene)bis(acetoacetamide)

EINECS 246-438-8
CAS No. 24731-73-5 Density 1.279 g/cm3
PSA 92.34000 LogP 1.66780
Solubility 212mg/L at 20℃ Melting Point 355 °C (decomp)
Formula C14H16N2O4 Boiling Point 582.2 °C at 760 mmHg
Molecular Weight 276.292 Flash Point 234.4 °C
Transport Information N/A Appearance White to grey-brown powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 24731-73-5 (N,N'-(1,4-Phenylene)bis(acetoacetamide)) Hazard Symbols N/A
Synonyms

Acetoacetamide,N,N'-p-phenylenebis- (6CI);1,4-Bis(acetoacetamido)benzene;1,4-Bis(acetoacetylamino)benzene;NSC 87597;

Article Data 7

N,N'-(1,4-Phenylene)bis(acetoacetamide) Specification

This chemical is called Butanamide, N,N'-1,4-phenylenebis[3-oxo-, and its systematic name is N,N'-benzene-1,4-diylbis(3-oxobutanamide). With the molecular formula of C14H16N2O4, its molecular weight is 276.29. The CAS registry number of this chemical is 24731-73-5. Additionally, its product category is Intermediates of Dyes and Pigments.

Other characteristics of the Butanamide, N,N'-1,4-phenylenebis[3-oxo- can be summarised as followings: (1)ACD/LogP: -0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.92; (4)ACD/LogD (pH 7.4): -0.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.51; (8)ACD/KOC (pH 7.4): 7.47; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 74.76 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 73.38 cm3; (15)Molar Volume: 215.8 cm3; (16)Polarizability: 29.09×10-24cm3; (17)Surface Tension: 53.5 dyne/cm; (18)Density: 1.279 g/cm3; (19)Flash Point: 234.4 °C; (20)Enthalpy of Vaporization: 87.04 kJ/mol; (21)Boiling Point: 582.2 °C at 760 mmHg; (22)Vapour Pressure: 1.52E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(Nc1ccc(cc1)NC(=O)CC(=O)C)CC(=O)C
2.InChI: InChI=1/C14H16N2O4/c1-9(17)7-13(19)15-11-3-5-12(6-4-11)16-14(20)8-10(2)18/h3-6H,7-8H2,1-2H3,(H,15,19)(H,16,20)
3.InChIKey: OWGNKUKYZPVEFS-UHFFFAOYAU

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