N-(2-Hydroxyethyl)acrylamide,HEAA CAS#: 7646-67-5; ChemWhat Code: 601884
Identification
| Product Name | N-(2-Hydroxyethyl)acrylamide,HEAA |
| IUPAC Name | N-(2-hydroxyethyl)prop-2-enamide |
| Molecular Structure |  |
| CAS Registry Number | 7646-67-5 |
| EINECS Number | No data available |
| MDL Number | MFCD11110645 |
| Beilstein Registry Number | No data available |
| Synonyms | N-hydroxyethylacrylamide, N-(2-hydroxyethyl)-acrylamide, N-(2-hydroxyethyl)acrylamide, N-(hydroxyethyl)acrylamide, N-2-hydroxyethylacrylamide, N-hydroxylethyl acrylamide, 2-hydroxyethyl acrylamide |
| Molecular Formula | C5H9NO2 |
| Molecular Weight | 115.131 |
| InChI | InChI=1S/C5H9NO2/c1-2-5(8)6-3-4-7/h2,7H,1,3-4H2,(H,6,8) |
| InChI Key | UUORTJUPDJJXST-UHFFFAOYSA-N |
| Canonical SMILES | C=CC(=O)NCCO |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN110183344 | Method for synthesizing acrylamide derivative | 2019 |
| JP2018/104365 | (Meth) acrylamide (meth) acrylic acid ester derivative having a site (by machine translation) | 2018 |
| JP2017/202987 | (Meth) acrylamide compound and the ink using the same (by machine translation) | 2017 |
Physical Data
| Appearance | Colorless 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 |
| 127 – 130 | 0.1 |
| 135 – 140 | 1.5 |
| Refractive Index | Wavelength (Refractive Index), nm | Temperature (Refractive Index), °C |
| 1.5003 | 589 | 19.7 |
| 1.5022 | 589 | 25 |
| Dynamic Viscosity, P | Temperature (Dynamic Viscosity), °C |
| 1.28 | 25 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz | Comment (NMR Spectroscopy) |
| Spectrum | 1H | |||
| Chemical shifts | 1H | chloroform-d1 | 300 | |
| Chemical shifts | 1H | D2O | 300 | |
| Chemical shifts | 1H | CDCl3 | ||
| Chemical shifts | 13C | CDCl3 | ||
| Spin-spin coupling constants | CDCl3 | 1H-1H |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Comment (IR Spectroscopy) |
| Bands, Spectrum | potassium bromide | |
| Bands | neat (no solvent) | 3296 – 1554 cm**(-1) |
| Bands | CHCl3 | 3440 – 1400 cm**(-1) |
| Description (Mass Spectrometry) |
| spectrum |
| spectrum, chemical ionization (CI) |
Route of Synthesis (ROS)
| Conditions | Yield |
| With pyridine; 4-methoxy-phenol In tetrahydrofuran at 5 – 20℃; for 13h; | 74% |
| With 4-methoxy-phenol; triethylamine In tetrahydrofuran at -10 – 20℃; for 26h; | 73.3% |
| With 4-methoxy-phenol; triethylamine In tetrahydrofuran at -10 – 20℃; for 26h; | 73.3% |
Safety and Hazards
| Pictogram(s) |   |
| Signal | Danger |
| GHS Hazard Statements | H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H373 (100%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P260, P280, P305+P351+P338, P310, P314, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| 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 | |
| Molecular Weight | 115.132 |
| logP | -0.707 |
| HBA | 3 |
| HBD | 2 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 49.33 |
| Rotatable Bond (RotB) | 4 |
| Matching Veber Rules | 2 |
| Use Pattern |
| N-(2-Hydroxyethyl)acrylamide,HEAA CAS#: 7646-67-5 is mainly used to make polymer gels with temperature-sensitive properties. |
| N-(2-Hydroxyethyl)acrylamide,HEAA CAS#: 7646-67-5 is widely used in drug controlled release materials, denatured latex, enzyme solid materials, special coatings, dehydrating agents, adhesives, etc. |
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Approved Manufacturers | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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