1068-90-2
Product Name:
Diethyl acetamidomalonate
Formula:
C9H15NO5
Synonyms:
Acetamidomalonic acid diethyl ester
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [HSDB] White crystalline powder; [MSDSonline] |
|---|---|
| Color/Form | CRYSTALS FROM ALCOHOL OR BENZENE-PETROLEUM ETHER |
| Boiling Point | 185 °C @ 20 MM HG |
| Melting Point | 95-96 °C |
| Solubility | SLIGHTLY SOL IN HOT WATER & ETHER; SOL IN HOT ALCOHOL |
| Chemical Classes | Nitrogen Compounds -> Other Nitrogen Compounds |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H290:Corrosive to Metals H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P234:Keep only in original container. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P390:Absorb spillage to prevent material damage. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P405:Store locked up. P406:Store in corrosive resistant/… container with a resistant inner liner. |
COMPUTED DESCRIPTORS
| Molecular Weight | 217.22 g/mol |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 217.09502258 g/mol |
| Monoisotopic Mass | 217.09502258 g/mol |
| Topological Polar Surface Area | 81.7 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 233 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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