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29649-47-6

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Basic Information
CAS No.: 29649-47-6
Name: N-[2-[(2-Chloro-4-nitrophenyl)azo]-5-[[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]ethylamino]phenyl]acetamide
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)
Formula: C22H23ClN6O5
Molecular Weight: 486.9082
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);
Density: 1.42 g/cm3
Boiling Point: 772 °C at 760 mmHg
Flash Point: 420.7 °C
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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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    29649-47-6

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

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    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-acetami

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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