Acetamide,N-(2-ethoxy-4-nitrophenyl)- supplier

Name
4-ACETAMIDO-3-ETHOXYNITROBENZENE
EINECS
CAS No. 116496-76-5
Article Data9
CAS DataBase
Density 1.282 g/cm³
Solubility
Melting Point 164-165 °C
Formula C₁₀H₁₂N₂O₄
Boiling Point 416.2 °C at 760 mmHg
Molecular Weight 224.216
Flash Point 205.5 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Acetamido-3-ethoxy-1-nitrobenzene;4-Acetamido-3-ethoxynitrobenzene;
PSA 84.15000
LogP 2.54810

Acetamide,N-(2-ethoxy-4-nitrophenyl)- Specification

The Acetamide,N-(2-ethoxy-4-nitrophenyl)-, with its CAS registry number 116496-76-5, has the systematic name of N-(2-ethoxy-4-nitrophenyl)acetamide. With the molecular foumula of C₁₀H₁₂N₂O₄, its formula weight is 224.21. Besides, its product categories are including Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Anilines, Amides & Amines; Anisoles, Alkyloxy Compounds & Phenylacetates; Nitro Compounds.

The characteristics of Acetamide,N-(2-ethoxy-4-nitrophenyl)- are as follows: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.39; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 38.78; (6)ACD/BCF (pH 7.4): 38.78; (7)ACD/KOC (pH 5.5): 477.23; (8)ACD/KOC (pH 7.4): 477.23; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 75.36 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 58.38 cm³; (15)Molar Volume: 174.8 cm³; (16)Polarizability: 23.14×10^-24cm³; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.282 g/cm³; (19)Flash Point: 205.5 °C; (20)Enthalpy of Vaporization: 66.94 kJ/mol; (21)Boiling Point: 416.2 °C at 760 mmHg; (22)Vapour Pressure: 3.9E-07 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:[O-][N+](=O)c1cc(OCC)c(cc1)NC(=O)C
(2)InChI:InChI=1/C10H12N2O4/c1-3-16-10-6-8(12(14)15)4-5-9(10)11-7(2)13/h4-6H,3H2,1-2H3,(H,11,13)
(3)InChIKey:XZWVZJDHIDYKPB-UHFFFAOYAV
(4)Std. InChI:InChI=1S/C10H12N2O4/c1-3-16-10-6-8(12(14)15)4-5-9(10)11-7(2)13/h4-6H,3H2,1-2H3,(H,11,13)
(5)Std. InChIKey:XZWVZJDHIDYKPB-UHFFFAOYSA-N

Product Name

4-ACETAMIDO-3-ETHOXYNITROBENZENE

Acetamide,N-(2-ethoxy-4-nitrophenyl)- Specification

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