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55296-95-2
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Basic Information
CAS No.: 55296-95-2
Name: N-[2-[(2-cyano-4,6-dinitrophenyl)azo]-5-[ethyl(3-phenylpropyl)amino]phenyl]acetamide
Molecular Structure:
Molecular Structure of 55296-95-2 (N-[2-[(2-cyano-4,6-dinitrophenyl)azo]-5-[ethyl(3-phenylpropyl)amino]phenyl]acetamide)
Formula: C26H25N7O5
Molecular Weight: 515.52
Synonyms: N-{2-[(2-Cyano-4,6-dinitrophenyl)diazenyl]-5-[ethyl(3-phenylpropyl)amino]phenyl}acetamide;N-[2-(2-Cyano-4,6-dinitro-phenyl)azo-5-(ethyl-(3-phenylpropyl)amino)phenyl]acetamide;
EINECS: 259-579-5
Density: 1.31 g/cm3
Boiling Point: 776.9 °C at 760 mmHg
Flash Point: 423.6 °C
PSA: 175.98000
LogP: 7.90348
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Specification

The Acetamide,N-[2-[2-(2-cyano-4,6-dinitrophenyl)diazenyl]-5-[ethyl(3-phenylpropyl)amino]phenyl]-, with the CAS registry number 55296-95-2, is also known as N-{2-[(2-Cyano-4,6-dinitrophenyl)diazenyl]-5-[ethyl(3-phenylpropyl)amino]phenyl}acetamide. This chemical's molecular formula is C26H25N7O5 and molecular weight is 515.52. What's more, its systematic name is N-[2-(2-Cyano-4,6-dinitro-phenyl)azo-5-(ethyl-(3-phenylpropyl)amino)phenyl]acetamide.

Physical properties of Acetamide,N-[2-[2-(2-cyano-4,6-dinitrophenyl)diazenyl]-5-[ethyl(3-phenylpropyl)amino]phenyl]- are: (1)ACD/LogP: 7.08; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 7.08; (4)ACD/LogD (pH 7.4): 7.08; (5)#H bond acceptors: 12; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 11; (8)Polar Surface Area: 172.49 Å2; (9)Index of Refraction: 1.64; (10)Molar Refractivity: 141.56 cm3; (11)Molar Volume: 392.9 cm3; (12)Polarizability: 56.12 ×10-24 cm3; (13)Surface Tension: 56.2 dyne/cm; (14)Density: 1.31 g/cm3; (15)Flash Point: 423.6 °C; (16)Enthalpy of Vaporization: 113.06 kJ/mol; (17)Boiling Point: 776.9 °C at 760 mmHg; (18)Vapour Pressure: 4.51E-24 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(CCCC1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=C(C=C(C=C3C#N)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C
(2)InChI: InChI=1S/C26H25N7O5/c1-3-31(13-7-10-19-8-5-4-6-9-19)21-11-12-23(24(15-21)28-18(2)34)29-30-26-20(17-27)14-22(32(35)36)16-25(26)33(37)38/h4-6,8-9,11-12,14-16H,3,7,10,13H2,1-2H3,(H,28,34)
(3)InChIKey: CYYCCUUGSBQUBI-UHFFFAOYSA-N