HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Cyclohexylpiperazine
AKOS BBS-00003612 · BUTTPARK 82\06-06 · TIMTEC-BB SBB003875 · Avatopal impurity 47 · N-Cyclohexylpiperazine · 1-Cyclohexylpiperizine · 1-CYCLOHEXYLPIPERAZINE · Avatrombopag Impurity 9
Identifiers & Physical Properties
| CAS No. | 17766-28-8 |
|---|---|
| Molecular formula | C10H20N2 |
| Average molar mass | 168.28 g/mol |
| Monoisotopic mass | 168.16264864 g/mol |
| SMILES | C1CCC(N2CCNCC2)CC1 |
| InChIKey | XPDSXKIDJNKIQY-UHFFFAOYSA-N |
| PubChem CID | 87298 |
| ChEMBL | CHEMBL574182 |
| EC No. | 241-750-0 |
| DTXSID | DTXSID40170357 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 15.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 124 |
| Melting point | 28-32 °C |
| Boiling point | 287.25°C (rough estimate) |
| Density | 0.9725 (rough estimate) |
| Refractive index | 1.6011 |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Physical state | Low Melting Solid |
| pKa (acidity coefficient) | 9.25±0.10(Predicted) |
| Color | Yellow-brownish |
| BRN | 106845 |
| InChI | InChI=1S/C10H20N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h10-11H,1-9H2 |
| InChIKey | XPDSXKIDJNKIQY-UHFFFAOYSA-N |
| SMILES | N1(C2CCCCC2)CCNCC1 |
| CAS DataBase Reference | 17766-28-8(CAS DataBase Reference) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 24/25-26 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| Customs code | 29335990 |
Safety & Regulations
| GHS classification | WarningH315 (95.3%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (95.3%) |
| Water hazard class (WGK) | 3 |
| Customs code | 29335990 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 24/25-26 |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
Applications & Uses
Uses
1-Cyclohexylpiperazine is an σ1 and σ2 receptor ligands with diagnostic and therapeutic potentials.