HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-(4,6-Dimethylpyrimidin-2-yl)benzene-1,4-diamine
Olutasidenib Impurity 9 · 6-(TRIFLUOROMETHYL)NICOTINAMIDOXIME · N-(4-AMINOPHENYL)-4,6-DIMETHYL-2-PYRIMIDINAMINE · N-(4,6-Dimethylpyrimidin-2-yl)benzene-1,4-diamine · 2-[N-(4-AMINOPHENYL)AMINO]-4,6-DIMETHYLPYRIMIDINE · N1-(4,6-Dimethylpyrimidin-2-yl)benzene-1,4-diamine · 1,4-Benzenediamine, N1-(4,6-dimethyl-2-pyrimidinyl)- · N1-(4,6-Dimethylpyrimidin-2-yl)benzene-1,4-diamine 95+%
Identifiers & Physical Properties
| CAS No. | 81261-93-0 |
|---|---|
| Molecular formula | C12H14N4 |
| Average molar mass | 214.27 g/mol |
| SMILES | Cc1cc(C)nc(Nc2ccc(N)cc2)n1 |
| InChIKey | SFVBOQCTJBQABR-UHFFFAOYSA-N |
| PubChem CID | 735909 |
| EC No. | 674-409-3 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 63.8 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 203 |
| Melting point | 192-195°C |
| Boiling point | 429.9±47.0 °C(Predicted) |
| Density | 1.212±0.06 g/cm3(Predicted) |
| Physical state | Solid |
| pKa (acidity coefficient) | 4.94±0.10(Predicted) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
| Hazard symbols | Xi,C |
| Risk statements (R) | 36/37/38-36-34 |
| Safety statements (S) | 26-36/37/39 |
| Hazard Note | Irritant |
| Customs code | 2933599590 |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, 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)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Customs code | 2933599590 |
| Risk statements (R) | 36/37/38-36-34 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,C |
| hazard_note | Irritant |
| Safety statements (S) | 26-36/37/39 |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
Applications & Uses
Uses
2-[N-(4-Aminophenyl)amino]-4,6-dimethylpyrimidine can be used in the treatment of proliferative diseases.