HuagongsheHuagongshe Chemistry Print Report · For research reference only
trans-Cinnamamide
rans-cinnamamide · Nsc 244944 · (E)-Cinnamamide · TRANS-CINNAMAMIDE · Mitomycin impurity · TIMTEC-BB SBB004096 · trans-Cinnamoylamine · trans-Cinnamamide >(E)-3-Phenylacrylamide
Identifiers & Physical Properties
| CAS No. | 22031-64-7 |
|---|---|
| Molecular formula | C9H9NO |
| Average molar mass | 147.17 g/mol |
| Monoisotopic mass | 147.06841391 g/mol |
| SMILES | NC(=O)/C=C/c1ccccc1 |
| InChIKey | APEJMQOBVMLION-VOTSOKGWSA-N |
| PubChem CID | 5273472 |
| ChEMBL | CHEMBL5280551 |
| ChEBI | CHEBI:23246 |
| EC No. | 679-596-5 |
| DTXSID | DTXSID901035045 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 43.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 157 |
| SpringerMaterials Properties | Density |
| LogP (partition coefficient) | 1.42 |
| Melting point | 148-150 °C(lit.) |
| Boiling point | 350.3±25.0 °C(Predicted) |
| Density | 1.121±0.06 g/cm3(Predicted) |
| Storage conditions | 2-8°C |
| Solubility | almost transparency in Methanol |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | 15+-.0.50(Predicted) |
| Color | White to Almost white |
| CAS DataBase Reference | 22031-64-7(CAS DataBase Reference) |
| FDA UNII | Y0JET56H7N |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302 |
| GHS precautionary statements | P264-P270-P301+P312+P330-P501 |
| Hazard symbols | Xn |
| Risk statements (R) | 22 |
| Safety statements (S) | 36 |
| Water hazard class (WGK) | 3 |
| RTECS number | GD6853000 |
| Customs code | 2924.29.9500 |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Water hazard class (WGK) | 3 |
| RTECS number | GD6853000 |
| Customs code | 2924.29.9500 |
| Risk statements (R) | 22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 36 |
| GHS hazard statements | H302 |
| GHS precautionary statements | P264-P270-P301+P312+P330-P501 |
Applications & Uses
Uses
trans-Cinnamamide is used in the used in the synthesis of U-77863 and U-77864 as it has antitumor activity.