HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(p-Tolyl)piperazine
1-(P-TOLYL)PIPERAZINE · RARECHEM AH CK 0137 · N-(P-TOLYL)PIPERAZINE · Methylphenylpiperazine · 1-(4-Methyphenyl)piperazine · 4-(4-Methylphenyl)piperazine · 1-(4-METHYLPHENYL)PIPERAZINE · N-(4-Methylphenyl)piperazine
Identifiers & Physical Properties
| CAS No. | 39593-08-3 |
|---|---|
| Molecular formula | C11H16N2 |
| Average molar mass | 176.26 g/mol |
| Monoisotopic mass | 176.13134851 g/mol |
| SMILES | Cc1ccc(N2CCNCC2)cc1 |
| InChIKey | ONEYFZXGNFNRJH-UHFFFAOYSA-N |
| PubChem CID | 83113 |
| ChEMBL | CHEMBL165462 |
| EC No. | 254-534-6 |
| DTXSID | DTXSID90192706 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 15.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 144 |
| Melting point | 29-32 °C |
| Boiling point | 116 °C |
| Density | 1.012 |
| Storage conditions | Storage temp. 2-8°C |
| Physical state | Low Melting Solid |
| pKa (acidity coefficient) | 9.00±0.10(Predicted) |
| Color | White to yellow |
| BRN | 139489 |
| InChI | 1S/C11H16N2/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3 |
| InChIKey | ONEYFZXGNFNRJH-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1)N2CCNCC2 |
| CAS DataBase Reference | 39593-08-3(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26 |
| UN transport number | UN 3263 8/PG III |
| Water hazard class (WGK) | 3 |
| F | 10-34 |
| Hazard Note | Irritant |
| Hazard class | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Packing group | III |
| Customs code | 29335990 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH315 (95.2%): 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)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 | Skin Irrit. 2 (95.2%) |
| F | 10-34 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 3263 8/PG III |
| Customs code | 29335990 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 26 |
| Hazard class | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Packing group | III |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
N-4-Tolylpiperazine is useful in the synthesis of 10H-Phenothiazine derivatives as ferroptosis inhibitors. This is useful in the treatment of stroke.