N,N-Dimethylacrylamide CAS#: 2680-03-7; 凯望编码 (ChemWhat Code): 23844
Identification
| 英文名 | N,N-Dimethylacrylamide |
| IUPAC Name | N,N-dimethylprop-2-enamide |
| 分子结构 |  |
| CAS编号 | 2680-03-7 |
| EINECS Number | No data available |
| MDL Number | MFCD00008626 |
| Beilstein Registry Number | No data available |
| 别名 | N,N-dimethylacrylamide |
| 分子式 | C5H9NO |
| 分子量 | 99.131 |
| InChI | InChI=1S/C5H9NO/c1-4-5(7)6(2)3/h4H,1H2,2-3H3 |
| InChI Key | YLGYACDQVQQZSW-UHFFFAOYSA-N |
| Canonical SMILES | C=CC(=O)N1CCOCC1 |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| EP3825409 | COMPOUND FOR REGULATING GENE EDITING EFFICIENCY AND APPLICATION THEREOF | 2021 |
| CN113429286 | Method for synthesizing polysubstituted biarene derivative by using aryl diazonium salt | 2021 |
| JP2020/26435 | PRODUCTION METHOD OF N,N-DISUBSTITUTED α,β-UNSATURATED CARBOXYLIC ACID AMIDE AND CATALYST FOR PRODUCTION OF N,N-DISUBSTITUTED α,β-UNSATURATED CARBOXYLIC ACID AMIDE | 2020 |
Physical Data
| Appearance | Colorless or light yellow transparent liquid |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 41 – 43 | 2.10021 |
| 75 | 10 |
| 37 – 38 | 1 |
| 65 – 67 | 10 |
| Density, g·cm-3 | Reference Temperature, °C | Measurement Temperature, °C |
| 0.996 | 4 | 20 |
| 0.9653 | 4 | 20 |
| 0.9651 |
| Description (Association (MCS)) | Solvent (Association (MCS)) | Temperature (Association (MCS)), °C | Partner (Association (MCS)) |
| Further physical properties of the complex | 24 – 44 | N-tert-Butylacrylamide, N-Isopropylacrylamide | |
| NMR spectrum of the complex | CD3CN | trifluoromethylsulfonic anhydride |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) |
| Chemical shifts, Spectrum | 1H | dimethylsulfoxide-d6 |
| Chemical shifts, Spectrum | 13C | chloroform-d1 |
| Chemical shifts | 1H | CDCl3 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands, Spectrum | potassium bromide |
| Bands | KBr |
| IR |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm | Ext./Abs. Coefficient, l·mol-1cm-1 |
| Absorption maxima | methanol | 239 | 2700 |
| Absorption maxima | dioxane | 243 | 2700 |
| Absorption maxima | H2O | 233.64 | |
| Absorption maxima | acetonitrile | 194.93, 241.55 | |
| UV/VIS |
Route of Synthesis (ROS)
| Conditions | Yield |
| With bis-triphenylphosphine-palladium(II) chloride; sodium acetate In N,N-dimethyl-formamide at 110℃; for 7h; | 86% |
| With bis-triphenylphosphine-palladium(II) chloride; sodium acetate In N,N-dimethyl-formamide at 110℃; for 7h; | 86% |
| With bis-triphenylphosphine-palladium(II) chloride; sodium acetate In N,N-dimethyl-formamide at 110℃; for 7h; | 86% |
Safety and Hazards
| Pictogram(s) |    |
| Signal | Danger |
| GHS Hazard Statements | H301 (85%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (14.75%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (89.25%): Toxic in contact with skin [Danger Acute toxicity, dermal] H317 (13.25%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (70.25%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (19.75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H330 (20.25%): Fatal if inhaled [Danger Acute toxicity, inhalation] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P260, P261, P264, P270, P271, P272, P280, P284, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P333+P313, P337+P313, P361, P363, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | Under the room temperature and away from light |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 99.1326 |
| logP | 0.144 |
| HBA | 2 |
| HBD | 0 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 20.31 |
| Rotatable Bond (RotB) | 2 |
| Matching Veber Rules | 2 |
| Use Pattern |
| N,N-Dimethylacrylamide CAS#: 2680-03-7 as Contact lens |
| N,N-Dimethylacrylamide CAS#: 2680-03-7 as Photographic and printed materials |
| N,N-Dimethylacrylamide CAS#: 2680-03-7 as Adhesive |
| N,N-Dimethylacrylamide CAS#: 2680-03-7 as Papermaking chemicals (dry strength agent) |
| N,N-Dimethylacrylamide CAS#: 2680-03-7 as Oilfield drilling |
| N,N-Dimethylacrylamide CAS#: 2680-03-7 as Medical gel |
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认证生产商 | |
| Caming Pharmaceutical Ltd | http://www.caming.com/ |
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