Identifiers & Physical Properties
| CAS No. | 1783-96-6 |
|---|
| Molecular formula | C4H7NO4 |
|---|
| Average molar mass | 133.1 g/mol |
|---|
| Monoisotopic mass | 133.0375077 g/mol |
|---|
| SMILES | NC(CC(=O)O)C(=O)O |
|---|
| InChIKey | CKLJMWTZIZZHCS-UHFFFAOYSA-N |
|---|
| PubChem CID | 424 |
|---|
| ChEBI | CHEBI:22660 |
|---|
| EC No. | 210-513-3 |
|---|
| DTXSID | DTXSID30859003 |
|---|
Chemical & Physical Properties
| XLogP | -2.8 |
|---|
| Topological polar surface area | 101 |
|---|
| Hydrogen bond donors | 3 |
|---|
| Hydrogen bond acceptors | 5 |
|---|
| Rotatable bonds | 3 |
|---|
| Heavy atoms | 9 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 133 |
|---|
| Chemical classes | Biological Agents -> Amino Acids and Derivatives |
|---|
| Drugs | Pharmaceuticals |
|---|
| Physical Description | Solid[Sigma-Aldrich MSDS] |
|---|
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 97.9% (138 of 141) of all reports.Not ClassifiedAggregated GHS information provided per 141 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|
| Regulatory information | Chemical: DL-Aspartic acidStatus: Active Update: 24-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/5880 |
|---|
| Other safety information | IMAP assessments - DL-Aspartic acid: Environment tier I assessment |
|---|
| Hazards summary | May cause irritation[Sigma-Aldrich MSDS] See Aspartic acid. |
|---|
| Hazard Classes and Categories | Not Classified |
|---|
