Identifiers & Physical Properties
| CAS No. | 166974-77-2 |
|---|
| Molecular formula | C11H15N3O4 |
|---|
| Average molar mass | 253.25 g/mol |
|---|
| Monoisotopic mass | 253.10625597 g/mol |
|---|
| SMILES | CC(C)(C)OC(=O)NNc1cccc([N+](=O)[O-])c1 |
|---|
| InChIKey | GZNVLFZCNZCRQW-UHFFFAOYSA-N |
|---|
| PubChem CID | 19085949 |
|---|
| EC No. | 890-267-7 |
|---|
Chemical & Physical Properties
| XLogP | 2.6 |
|---|
| Topological polar surface area | 96.2 |
|---|
| Hydrogen bond donors | 2 |
|---|
| Hydrogen bond acceptors | 5 |
|---|
| Rotatable bonds | 4 |
|---|
| Heavy atoms | 18 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 308 |
|---|
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|