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| CAS No.: | 6919-61-5 |
|---|---|
| Name: | N-METHOXY-N-METHYLBENZAMIDE |
| Article Data: | 113 |
| Molecular Structure: | |
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| Formula: | C9H11NO2 |
| Molecular Weight: | 165.192 |
| Synonyms: | N-Methyl-N-methoxybenzamide; |
| Density: | 1.093 g/cm3 |
| Boiling Point: | 288.2 °C at 760 mmHg |
| Flash Point: | 128.1 °C |
| PSA: | 29.54000 |
| LogP: | 1.32000 |
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Specification
The Benzamide, N-methoxy-N-methyl-, with the CAS registry number 6919-61-5. It belongs to the product categories of Amides; Carbonyl Compounds; Organic Building Blocks. This chemical's molecular formula is C9H11NO2 and formula weight is 165.19. What's more, its IUPAC name is N-methoxy-N-methylbenzamide. The product should be sealed and stored in cool and dry place and be protected from strong oxidizer.
Physical properties of Benzamide, N-methoxy-N-methyl- are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/BCF (pH 5.5): 7.29; (5)ACD/KOC (pH 5.5): 144.2; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 29.54 Å2; (10)Index of Refraction: 1.526; (11)Molar Refractivity: 46.38 cm3; (12)Molar Volume: 151 cm3; (13)Surface Tension: 39 dyne/cm; (14)Density: 1.093 g/cm3; (15)Flash Point: 128.1 °C; (16)Enthalpy of Vaporization: 52.74 kJ/mol; (17)Boiling Point: 288.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00238 mmHg at 25°C.
Preparation: this chemical can be prepared by N,O-dimethyl-hydroxylamine; hydrochloride, benzoic acid at the ambient temperature. This reaction will need reagent pyridine, triphenylphosphine, CBr4 with the reaction time of 10 min. The yield is about 88%.
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Uses of Benzamide, N-methoxy-N-methyl-: it can be used to produce 1-phenyl-pentan-1-one at the temperature of 0°C. It will need solvent tetrahydrofuran with the reaction time of 1 hour. The yield is about 84%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C(=O)C1=CC=CC=C1)OC
(2)InChI: InChI=1S/C9H11NO2/c1-10(12-2)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3
(3)InChIKey: UKERDACREYXSIV-UHFFFAOYSA-N