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3663-20-5

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Basic Information
CAS No.: 3663-20-5
Name: N1-(4-BUTYLPHENYL)ACETAMIDE
Article Data: 14
Molecular Structure:
Molecular Structure of 3663-20-5 (N1-(4-BUTYLPHENYL)ACETAMIDE)
Formula: C12H17NO
Molecular Weight: 191.273
Synonyms: Acetanilide,4'-butyl- (7CI,8CI);4-(n-Butyl)acetanilide;4'-Butylacetanilide;N-(4-Butylphenyl)acetamide;p-Butylacetanilide;
Density: 1.015 g/cm3
Melting Point: 107 °C
Boiling Point: 349.6 °C at 760 mmHg
Flash Point: 208.8 °C
Hazard Symbols: R22:Harmful if swallowed.;
Risk Codes:  Xn:Harmful;
">  Xn:Harmful;
PSA: 29.10000
LogP: 3.06060
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Specification

The Acetamide,N-(4-butylphenyl)- is an organic compound with the formula C12H17NO. The IUPAC name of this chemical is N-(4-butylphenyl)acetamide. With the CAS registry number 3663-20-5, it is also named as N1-(4-Butylphenyl)acetamide. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts.

Physical properties about Acetamide,N-(4-butylphenyl)- are: (1)ACD/LogP: 3.14; (2)ACD/LogD (pH 5.5): 3.14; (3)ACD/LogD (pH 7.4): 3.14; (4)ACD/BCF (pH 5.5): 142.5; (5)ACD/BCF (pH 7.4): 142.5; (6)ACD/KOC (pH 5.5): 1211.45; (7)ACD/KOC (pH 7.4): 1211.48; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 20.31 Å2; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 59.33 cm3; (14)Molar Volume: 188.3 cm3; (15)Polarizability: 23.52×10-24cm3; (16)Surface Tension: 37.8 dyne/cm; (17)Density: 1.015 g/cm3; (18)Flash Point: 208.8 °C; (19)Enthalpy of Vaporization: 59.41 kJ/mol; (20)Boiling Point: 349.6 °C at 760 mmHg; (21)Vapour Pressure: 4.65E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)CCCC)C
(2)InChI: InChI=1/C12H17NO/c1-3-4-5-11-6-8-12(9-7-11)13-10(2)14/h6-9H,3-5H2,1-2H3,(H,13,14)
(3)InChIKey: GDQKURDANTWHBA-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C12H17NO/c1-3-4-5-11-6-8-12(9-7-11)13-10(2)14/h6-9H,3-5H2,1-2H3,(H,13,14)
(5)Std. InChIKey: GDQKURDANTWHBA-UHFFFAOYSA-N