Basic information
- Name:
Acetamide,N-methoxy-N-methyl-
- Superlist Name:
- N-Methoxy-N-methylacetamide
- CAS No.:
78191-00-1
- Molecular Structure:
- Formula:
- C4H9NO2
- Molecular Weight:
- 103.12
- Synonyms:
- N,O-Dimethylacetohydroxamicacid;
- Density:
- 0.979 g/cm3
- Boiling Point:
- 92 °C at 760 mmHg
- Flash Point:
- 9.4 °C
- Solubility:
- Soluble in water
- Appearance:
- clear colorless liquid
- Risk Codes:
- 10
- Safety Description:
- 16 Details
- Transport Information:
- UN 1993 3/PG 3
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Specification
The IUPAC name of this chemical is N-methoxy-N-methylacetamide. With the CAS registry number 78191-00-1, it is also named as Acetamide, N-methoxy-N-methyl-. The product's categories are hydroxylamines, hydroxylamines (N-substituted), hydroxylamines (O-substituted), amides, carbonyl compounds and organic building blocks. In addiotion, it is clear colorless liquid which is soluble in water. And this chemical is flammable, so people should keep it away from sources of ignition.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.31; (4)ACD/LogD (pH 7.4): -0.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.06; (8)ACD/KOC (pH 7.4): 16.06; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.409; (13)Molar Refractivity: 26.07 cm3; (14)Molar Volume: 105.2 cm3; (15)Polarizability: 10.33×10-24 cm3; (16)Surface Tension: 27.7 dyne/cm; (17)Enthalpy of Vaporization: 33.18 kJ/mol; (18)Vapour Pressure: 52.7 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 103.063329; (21)MonoIsotopic Mass: 103.063329; (22)Topological Polar Surface Area: 29.5; (23)Heavy Atom Count: 7.
Preparation of N-Methoxy-N-methylacetamide: It can be obtained by N-methoxy-N-methylacetamidine hydroiodide with 6 M aq. potassium hydroxide under heating. The reaction time is 2 hours. The yield is 62%.
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Uses of N-Methoxy-N-methylacetamide: It can react with 2-Lithio-1,3-dithian to get 1-[1,3]dithian-2-yl-ethanone. This reaction needs reagent aq. ammonium chloride and solvent tetrahydrofuran at temperature of -78 - 0 °C. The yield is 95%.
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People can use the following data to convert to the molecule structure.
1. SMILES: O=C(N(OC)C)C;
2. InChI: InChI=1/C4H9NO2/c1-4(6)5(2)7-3/h1-3H3.