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1563-86-6

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Basic Information
CAS No.: 1563-86-6
Name: N-acetyl-N-butylacetamide
Article Data: 2
Molecular Structure:
Molecular Structure of 1563-86-6 (N-acetyl-N-butylacetamide)
Formula: C8H15NO2
Molecular Weight: 157.213
Synonyms: Diacetamide,N-butyl- (6CI,7CI,8CI);N-Acetyl-N-butylacetamide;Diacetamide, N-butyl-;N-Butyldiacetamide;
EINECS: 216-357-2
Density: 0.969 g/cm3
Boiling Point: 235.8 °C at 760 mmHg
Flash Point: 89.3 °C
PSA: 37.38000
LogP: 1.18150
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Specification

The Acetamide,N-acetyl-N-butyl-, with the CAS registry number 1563-86-6, is also known as N-Butyldiacetamide. Its EINECS number is 216-357-2. This chemical's molecular formula is C8H15NO2 and molecular weight is 157.21. What's more, its systematic name is N-acetyl-N-butylacetamide.

Physical properties of Acetamide,N-acetyl-N-butyl- are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/BCF (pH 5.5): 2.17; (5)ACD/KOC (pH 5.5): 60.58; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 37.38 Å2; (10)Index of Refraction: 1.442; (11)Molar Refractivity: 42.89 cm3; (12)Molar Volume: 162 cm3; (13)Polarizability: 17×10-24cm3; (14)Surface Tension: 32.2 dyne/cm; (15)Density: 0.969 g/cm3; (16)Flash Point: 89.3 °C; (17)Enthalpy of Vaporization: 47.25 kJ/mol; (18)Boiling Point: 235.8 °C at 760 mmHg; (19)Vapour Pressure: 0.0492 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N(C(=O)C)CCCC)C
(2)InChI: InChI=1S/C8H15NO2/c1-4-5-6-9(7(2)10)8(3)11/h4-6H2,1-3H3
(3)InChIKey: FEOFWXBYTMJIBA-UHFFFAOYSA-N