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5827-78-1

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Basic Information
CAS No.: 5827-78-1
Name: Propanamide, N-methyl-N-phenyl-
Article Data: 28
Molecular Structure:
Molecular Structure of 5827-78-1 (Propanamide, N-methyl-N-phenyl-)
Formula: C10H13NO
Molecular Weight: 163.219
Synonyms: Propanamide, N-methyl-N-phenyl-
Density: 1.035 g/cm3
Melting Point: 57-57.5 °C
Boiling Point: 245.4 °C at 760 mmHg
Flash Point: 101.4 °C
PSA: 20.31000
LogP: 2.05940
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Specification

The Propanamide,N-methyl-N-phenyl- has CAS registry number 5827-78-1. This chemical's molecular formula is C10H13NO and molecular weight is 163.25. What's more, its IUPAC name is N-methyl-N-phenylpropanamide.

Physical properties of Propanamide,N-methyl-N-phenyl- are: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.545; (8)Molar Refractivity: 49.86 cm3; (9)Molar Volume: 157.5 cm3; (10)Polarizability: 19.76×10-24cm3; (11)Surface Tension: 39 dyne/cm; (12)Density: 1.035 g/cm3; (13)Flash Point: 101.4 °C; (14)Enthalpy of Vaporization: 48.24 kJ/mol; (15)Boiling Point: 245.4 °C at 760 mmHg; (16)Vapour Pressure: 0.0288 mmHg at 25°C.

Preparation: this chemical can be prepared by N-methyl-acrylanilide at the temperature of 0°C. This reaction will need reagent Co(acac)2-DIBAL and solvents tetrahydrofuran, hexane with the reaction time of 4 hours. The yield is about 90%.

Propanamide,N-methyl-N-phenyl- can be prepared by N-methyl-acrylanilide at the temperature of 0°C

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N(c1ccccc1)C)CC
(2)Std. InChI: InChI=1S/C10H13NO/c1-3-10(12)11(2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
(3)Std. InChIKey: HNCDGGUYKIJTLE-UHFFFAOYSA-N