HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Aminopyridazine
PYRIDAZIN-4-AMINE · 4-Pyridazinamine · 4-Aminopyridazin · 4-AMINOPYRIDAZINE · PYRIDAZIN-4-YLAMINE · 4-Pyridazinamine (9CI, ACI) · 4-aminopyridazine (MFCD00233975) · 4-AMinopyridazine pyridazin-4-amine
Identifiers & Physical Properties
| CAS No. | 20744-39-2 |
|---|---|
| Molecular formula | C4H5N3 |
| Average molar mass | 95.1 g/mol |
| Monoisotopic mass | 95.04834716 g/mol |
| SMILES | Nc1ccnnc1 |
| InChIKey | LUCGBEPEAUHERV-UHFFFAOYSA-N |
| PubChem CID | 298492 |
| EC No. | 692-025-4 |
| DTXSID | DTXSID90305399 |
Chemical & Physical Properties
| XLogP | -0.5 |
|---|---|
| Topological polar surface area | 51.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 54.9 |
| LogP (partition coefficient) | -0.53 |
| Melting point | 127-133°C |
| Boiling point | 326.2±15.0 °C(Predicted) |
| Density | 1.216±0.06 g/cm3(Predicted) |
| Storage conditions | -20°C |
| Physical state | solid |
| pKa (acidity coefficient) | 6.38±0.10(Predicted) |
| Color | Light yellow to yellow |
| InChI | InChI=1S/C4H5N3/c5-4-1-2-6-7-3-4/h1-3H,(H2,5,6) |
| InChIKey | LUCGBEPEAUHERV-UHFFFAOYSA-N |
| SMILES | C1=NN=CC=C1N |
| FDA UNII | 2H2SSX4YHL |
| UNSPSC Code | 12352200 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Target organs | Respiratory system |
| Hazard symbols | Xn |
| Risk statements (R) | 22-36/37/38 |
| Safety statements (S) | 26 |
| Water hazard class (WGK) | 3 |
| Customs code | 2933998090 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | WarningH302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.2%) |
| Water hazard class (WGK) | 3 |
| Customs code | 2933998090 |
| Risk statements (R) | 22-36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 26 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H302-H315-H319-H335 |
| Hazard class | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
4-Pyridazinamine is used to prepare phosphodiesterase 10A inhibitors with reduced CYP1A2 inhibition. It is also used to synthesize ATP competitive phosphatidylinositol-3-kinase/mammalian target of rapamycin inhibitors.
Uses
4-Pyridazinamine is used to prepare phosphodiesterase 10A inhibitors with reduced CYP1A2 inhibition. It is also used to synthesize ATP competitive phosphatidylinositol-3-kinase/mammalian target of rapamycin inhibitors.