HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ameltolide
LY-201116 · ADD-75073 · ameltolide · Ameltolide, 10 mM in DMSO · 4-azanyl-N-(2,6-dimethylphenyl)benzamide · Benzamide, 4-amino-N-(2,6-dimethylphenyl)- · 4-amino-N-(2,6-dimethylphenyl)benzamide(SALTDATA: FREE)

Identifiers & Physical Properties
| CAS No. | 787-93-9 |
|---|---|
| Molecular formula | C15H16N2O |
| Average molar mass | 240.3 g/mol |
| Monoisotopic mass | 240.12626313 g/mol |
| SMILES | Cc1cccc(C)c1NC(=O)c1ccc(N)cc1 |
| InChIKey | HZIWGOAXOBPQGY-UHFFFAOYSA-N |
| PubChem CID | 13086 |
| ChEMBL | CHEMBL22916 |
| ChEBI | CHEBI:6342 |
| EC No. | 804-885-1 |
| DTXSID | DTXSID7052860 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 55.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 274 |
| Melting point | 223 °C |
| Boiling point | 340.8±42.0 °C(Predicted) |
| Density | 1.182±0.06 g/cm3(Predicted) |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| pKa (acidity coefficient) | 14.37±0.70(Predicted) |
| Color | Dark Yellow |
| FDA UNII | F83240ZOVE |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H319-H315-H335 |
| GHS precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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. |
|---|---|
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H319-H315-H335 |
| GHS precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
Applications & Uses
Uses
Anticonvulsant L.