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Acetamide,N-[2-[2-(2-chloro-4-nitrophenyl)diazenyl]-5-[[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]ethylamino]phenyl]-

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Name

Acetamide,N-[2-[2-(2-chloro-4-nitrophenyl)diazenyl]-5-[[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]ethylamino]phenyl]-

EINECS N/A
CAS No. 29649-47-6 Density 1.42 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C22H23ClN6O5 Boiling Point 772 °C at 760 mmHg
Molecular Weight 486.9082 Flash Point 420.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 29649-47-6 (N-[2-[(2-Chloro-4-nitrophenyl)azo]-5-[[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]ethylamino]phenyl]acetamide) Hazard Symbols N/A
Synonyms

Acetamide,N-[2-[(2-chloro-4-nitrophenyl)azo]-5-[[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]ethylamino]phenyl]-(9CI);Acetanilide,2'-[(2-chloro-4-nitrophenyl)azo]-5'-[ethyl(2-succinimidoethyl)amino]- (8CI);

 

Acetamide,N-[2-[2-(2-chloro-4-nitrophenyl)diazenyl]-5-[[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]ethylamino]phenyl]- Specification

The Acetamide,N-[2-[2-(2-chloro-4-nitrophenyl)diazenyl]-5-[[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]ethylamino]phenyl]-, with the CAS registry number 29649-47-6, is also known as 4-(2-Chloro-4-nitrophenylazo)-N-ethyl-N-(β-succinimidoethyl)-3-acetamidoaniline. This chemical's molecular formula is C22H23ClN6O5 and molecular weight is 486.9082. Its systematic name is called N-(2-[(2-chloro-4-nitrophenyl)diazenyl]-5-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl](ethyl)amino}phenyl)acetamide.

Physical properties of Acetamide,N-[2-[2-(2-chloro-4-nitrophenyl)diazenyl]-5-[[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]ethylamino]phenyl]-: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.69; (4)ACD/LogD (pH 7.4): 3.69; (5)ACD/BCF (pH 5.5): 377.22; (6)ACD/BCF (pH 7.4): 377.33; (7)ACD/KOC (pH 5.5): 2431.62; (8)ACD/KOC (pH 7.4): 2432.3; (9)#H bond acceptors: 11; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.658; (13)Molar Refractivity: 125.81 cm3; (14)Molar Volume: 341.2 cm3; (15)Surface Tension: 58.3 dyne/cm; (16)Density: 1.42 g/cm3; (17)Flash Point: 420.7 °C; (18)Enthalpy of Vaporization: 112.38 kJ/mol; (19)Boiling Point: 772 °C at 760 mmHg; (20)Vapour Pressure: 9.31E-24 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c3ccc(N=Nc1ccc(cc1NC(C)=O)N(CC)CCN2C(=O)CCC2=O)c(Cl)c3
(2)InChI: InChI=1/C22H23ClN6O5/c1-3-27(10-11-28-21(31)8-9-22(28)32)15-4-7-19(20(13-15)24-14(2)30)26-25-18-6-5-16(29(33)34)12-17(18)23/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,30)
(3)InChIKey: UDGFRBMYHZURLH-UHFFFAOYAS

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