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Keywords
N-(4-cyano-3-methylphenyl)acetamide N-(4-cyano-3-methylphenyl)acetamide 4-Acetamido-2-methylbenzonitrile
Quick Details
- Appearance:
- Application:The Acetamide,N-(4-cyano-3-methylphenyl)-, with the CAS registry number 321162-59-8, has the systematic name of N-(4-cyano-3-methylphenyl)acetamide. It belongs to the following product categories: Aro
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- Transportation:The Acetamide,N-(4-cyano-3-methylphenyl)-, with the CAS registry number 321162-59-8, has the systematic name of N-(4-cyano-3-methylphenyl)acetamide. It belongs to the following product categories: Aro
Superiority:
The Acetamide,N-(4-cyano-3-methylphenyl)-, with the CAS registry number 321162-59-8, has the systematic name of N-(4-cyano-3-methylphenyl)acetamide. It belongs to the following product categories: Aromatic Nitriles; C10 to C27; Cyanides/Nitriles; Nitrogen Compounds. And the molecular formula of the chemical is C10H10N2O.
The characteristics of Acetamide,N-(4-cyano-3-methylphenyl)- are as followings: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.46; (6)ACD/BCF (pH 7.4): 14.46; (7)ACD/KOC (pH 5.5): 235.56; (8)ACD/KOC (pH 7.4): 235.56; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.1 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 48.96 cm3; (15)Molar Volume: 153.6 cm3; (16)Polarizability: 19.41×10-24cm3; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 186.9 °C; (20)Enthalpy of Vaporization: 63.43 kJ/mol; (21)Boiling Point: 385.5 °C at 760 mmHg; (22)Vapour Pressure: 3.79E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Nc1cc(c(C#N)cc1)C)C
(2)InChI: InChI=1/C10H10N2O/c1-7-5-10(12-8(2)13)4-3-9(7)6-11/h3-5H,1-2H3,(H,12,13)
(3)InChIKey: SRCREJLHAPEANJ-UHFFFAOYAN
Details:
The Acetamide,N-(4-cyano-3-methylphenyl)-, with the CAS registry number 321162-59-8, has the systematic name of N-(4-cyano-3-methylphenyl)acetamide. It belongs to the following product categories: Aromatic Nitriles; C10 to C27; Cyanides/Nitriles; Nitrogen Compounds. And the molecular formula of the chemical is C10H10N2O.
The characteristics of Acetamide,N-(4-cyano-3-methylphenyl)- are as followings: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.46; (6)ACD/BCF (pH 7.4): 14.46; (7)ACD/KOC (pH 5.5): 235.56; (8)ACD/KOC (pH 7.4): 235.56; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.1 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 48.96 cm3; (15)Molar Volume: 153.6 cm3; (16)Polarizability: 19.41×10-24cm3; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 186.9 °C; (20)Enthalpy of Vaporization: 63.43 kJ/mol; (21)Boiling Point: 385.5 °C at 760 mmHg; (22)Vapour Pressure: 3.79E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Nc1cc(c(C#N)cc1)C)C
(2)InChI: InChI=1/C10H10N2O/c1-7-5-10(12-8(2)13)4-3-9(7)6-11/h3-5H,1-2H3,(H,12,13)
(3)InChIKey: SRCREJLHAPEANJ-UHFFFAOYAN
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