Identifiers & Physical Properties
| CAS No. | 7183-57-5 |
|---|
| Molecular formula | C2H3N |
|---|
| Average molar mass | 43.045 g/mol |
|---|
| SMILES | [14CH3]C#N |
|---|
| InChIKey | WEVYAHXRMPXWCK-NJFSPNSNSA-N |
|---|
Chemical & Physical Properties
| XLogP | 0 |
|---|
| Topological polar surface area | 23.8 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 1 |
|---|
| Rotatable bonds | 0 |
|---|
| Heavy atoms | 3 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 29.3 |
|---|
| Boiling point | 76-100 °C |
|---|
| Flash point | 2 °C |
|---|
| Storage conditions | 2-8°C |
|---|
| Solvent | Neat liquid in sealed ampoule |
|---|
| Specific Activity | 5-10 mCi/mmol |
|---|
| Hazard symbols | F,T,R |
|---|
| Risk statements (R) | 11-23/24/25-36/37/38 |
|---|
| Safety statements (S) | 16-26-36/37/39-45 |
|---|
| UN transport number | UN 1648 3/PG 2 |
|---|
| Water hazard class (WGK) | 3 |
|---|
Safety & Regulations
| Water hazard class (WGK) | 3 |
|---|
| UN transport number | UN 1648 3/PG 2 |
|---|
| Risk statements (R) | 11-23/24/25-36/37/38 |
|---|
| Hazard symbols | F,T,R |
|---|
| Safety statements (S) | 16-26-36/37/39-45 |
|---|
