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93964-89-7

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Basic Information
CAS No.: 93964-89-7
Name: N-[2-(dodecyloxy)ethyl]-N-ethyl-4-[(4-nitrophenyl)azo]aniline
Molecular Structure:
Molecular Structure of 93964-89-7 (N-[2-(dodecyloxy)ethyl]-N-ethyl-4-[(4-nitrophenyl)azo]aniline)
Formula: C28H42N4O3
Molecular Weight: 482.65808
Synonyms: Benzenamine, N-[2-(dodecyloxy)ethyl]-N-ethyl-4-[(4-nitrophenyl)azo]- (9CI);
EINECS: 300-937-8
Density: 1.05 g/cm3
Boiling Point: 606.2 °C at 760 mmHg
Flash Point: 320.4 °C
PSA: 83.01000
LogP: 9.29720
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    Benzenamine, N-[2-(dodecyloxy)ethyl]-N-ethyl-4-[2-(4-nitrophenyl)diazenyl]-

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  • Benzenamine, N-[2-(dodecyloxy)ethyl]-N-ethyl-4-[2-(4-nitrophenyl)diazenyl]-

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Specification

The Benzenamine, N-[2-(dodecyloxy)ethyl]-N-ethyl-4-[2-(4-nitrophenyl)diazenyl]-, with the CAS registry number 93964-89-7, is also known as N-(2-(Dodecyloxy)ethyl)-N-ethyl-4-((4-nitrophenyl)azo)aniline. Its EINECS registry number is 300-937-8. This chemical's molecular formula is C28H42N4O3 and molecular weight is 482.65808. Its IUPAC name is called N-(2-dodecoxyethyl)-N-ethyl-4-[(4-nitrophenyl)diazenyl]aniline.

Physical properties of Benzenamine, N-[2-(dodecyloxy)ethyl]-N-ethyl-4-[2-(4-nitrophenyl)diazenyl]-: (1)ACD/LogP: 11.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.1; (4)ACD/LogD (pH 7.4): 11.1; (5)#H bond acceptors: 7; (6)#Freely Rotating Bonds: 19; (7)Index of Refraction: 1.54; (8)Molar Refractivity: 143.24 cm3; (9)Molar Volume: 456.1 cm3; (10)Surface Tension: 40.2 dyne/cm; (11)Density: 1.05 g/cm3; (12)Flash Point: 320.4 °C; (13)Enthalpy of Vaporization: 90.12 kJ/mol; (14)Boiling Point: 606.2 °C at 760 mmHg; (15)Vapour Pressure: 1.21E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCOCCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
(2)InChI: InChI=1S/C28H42N4O3/c1-3-5-6-7-8-9-10-11-12-13-23-35-24-22-31(4-2)27-18-14-25(15-19-27)29-30-26-16-20-28(21-17-26)32(33)34/h14-21H,3-13,22-24H2,1-2H3
(3)InChIKey: HPYDMCBDLHYDQV-UHFFFAOYSA-N