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1113-68-4

Basic Information
CAS No.: 1113-68-4
Name: Acetamide,N-acetyl-N-methyl-
Molecular Structure:
Molecular Structure of 1113-68-4 (Acetamide,N-acetyl-N-methyl-)
Formula: C5H9NO2
Molecular Weight: 115.13
Synonyms: Diacetamide,N-methyl- (6CI,7CI,8CI);Diacetylmethylamine;N-Acetyl-N-methylacetamide;N-Methyldiacetamide;
EINECS: 214-207-0
Density: 1.022 g/cm3
Melting Point: -25 °C
Boiling Point: 176.9 °C at 760 mmHg
Flash Point: 66.5 °C
Solubility: Fully miscible in water.
Appearance:
Hazard Symbols: Xn,T,Xi
Risk Codes: R22; R37/38; R41; R36/37/38; R20/21/22
Safety:
Transport Information:
PSA: 37.38000
LogP: 0.01120
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Specification

The Acetamide,N-acetyl-N-methyl-, with the CAS registry number 1113-68-4, is also known as N-Methyldiacetamide. Its EINECS number is 214-207-0. This chemical's molecular formula is C5H9NO2 and molecular weight is 115.13. What's more, its IUPAC name is N-Acetyl-N-methylacetamide. It is stable at room temperature and pressure, and it should be sealed and stored in a cool and dry place and be protected from strong oxidizes.

Physical properties of Acetamide,N-acetyl-N-methyl- are: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.85; (4)ACD/LogD (pH 7.4): -0.85; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.23; (8)ACD/KOC (pH 7.4): 8.23; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.428; (14)Molar Refractivity: 28.99 cm3; (15)Molar Volume: 112.5 cm3; (16)Polarizability: 11.49×10-24 cm3; (17)Surface Tension: 31.6 dyne/cm; (18)Density: 1.022 g/cm3; (19)Flash Point: 66.5 °C; (20)Enthalpy of Vaporization: 41.32 kJ/mol; (21)Boiling Point: 176.9 °C at 760 mmHg; (22)Vapour Pressure: 1.07 mmHg at 25 °C.

Preparation: this chemical can be prepared by acetyl chloride and N-methyl-acetamide. This reaction will need reagent pyridine. The yield is about 80%.

Acetamide,N-acetyl-N-methyl- can be prepared by acetyl chloride and N-methyl-acetamide.

Uses of Acetamide,N-acetyl-N-methyl-: it can be used to produce N-Methyl-N-[1-(trimethylsiloxy)vinyl]acetamid at the ambient temperature. It will need reagent NEt3 and solvent diethyl ether with the reaction time of 2 hours. The yield is about 49%.

Acetamide,N-acetyl-N-methyl- can be used to produce N-Methyl-N-[1-(trimethylsiloxy)vinyl]acetamid at the ambient temperature.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)N(C)C(=O)C
(2)InChI: InChI=1S/C5H9NO2/c1-4(7)6(3)5(2)8/h1-3H3
(3)InChIKey: ZNQFZPCFVNOXJQ-UHFFFAOYSA-N