Acetamide,N-(4-cyano-2-ethylphenyl)- supplier

Name
N1-(4-CYANO-2-ETHYLPHENYL)ACETAMIDE
EINECS
CAS No. 34921-76-1
Article Data2
CAS DataBase
Density 1.1 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂N₂O
Boiling Point 390.4 °C at 760 mmHg
Molecular Weight 188.229
Flash Point 189.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(4-Cyano-2-ethylphenyl)acetamide;4-Acetamido-3-ethylbenzonitrile;
PSA 52.89000
LogP 2.15208

Acetamide,N-(4-cyano-2-ethylphenyl)- Specification

The Acetamide, N-(4-cyano-2-ethylphenyl)-, with the CAS registry number of 34921-76-1, is also known as 4-Acetamido-3-ethylbenzonitrile and 4-Cyano-2-ethylacetanilide. This chemical's molecular formula is C₁₁H₁₂N₂O and molecular weight is 188.23. What's more, its systematic name is called N-(4-Cyano-2-ethylphenyl)acetamide.

Physical properties about Acetamide, N-(4-cyano-2-ethylphenyl)- are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.65; (6)ACD/BCF (pH 7.4): 36.65; (7)ACD/KOC (pH 5.5): 458.31; (8)ACD/KOC (pH 7.4): 458.31; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.1 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 53.59 cm³; (15)Molar Volume: 170 cm³; (16)Polarizability: 21.24×10^-24 cm³; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 189.9 °C; (20)Enthalpy of Vaporization: 63.99 kJ/mol; (21)Boiling Point: 390.4 °C at 760 mmHg; (22)Vapour Pressure: 2.66E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ccc(C#N)cc1CC)C
(2) InChI: InChI=1/C11H12N2O/c1-3-10-6-9(7-12)4-5-11(10)13-8(2)14/h4-6H,3H2,1-2H3,(H,13,14)
(3) InChIKey: SQBQTZGZKSMASP-UHFFFAOYAM

Product Name

N1-(4-CYANO-2-ETHYLPHENYL)ACETAMIDE

Acetamide,N-(4-cyano-2-ethylphenyl)- Specification

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