HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(Cyclohexylcarbonyl)piperazine
cyclohexyl(piperazin-1-yl)Methanone · 1-cyclohexanecarbonylpiperazine · 1-(Cyclohexylcarbonyl)piperazine · Cyclohexyl-1-piperazinylmethanone · Methanone, cyclohexyl-1-piperazinyl- · 1-(Cyclohexylcarbonyl)piperazine 97% · 1-(CYCLOHEXYLCARBONYL)PIPERAZINE 97 · 6,6'-Bis(trimethylsilyl)-2,2'-bipyridine

Identifiers & Physical Properties
| CAS No. | 27561-62-2 |
|---|---|
| Molecular formula | C11H20N2O |
| Average molar mass | 196.29 g/mol |
| Monoisotopic mass | 196.15756326 g/mol |
| SMILES | O=C(C1CCCCC1)N1CCNCC1 |
| InChIKey | ZSZROXCAFYZNHE-UHFFFAOYSA-N |
| PubChem CID | 3437502 |
| EC No. | 625-296-4 |
| DTXSID | DTXSID20392479 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 32.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 193 |
| Melting point | 84-89 °C (lit.) |
| Boiling point | 350.5±35.0 °C(Predicted) |
| Density | 1.047±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| Solubility | soluble in Methanol |
| pKa (acidity coefficient) | 8.47±0.10(Predicted) |
| Physical state | Solid |
| Color | White to brown |
| InChI | InChI=1S/C11H20N2O/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h10,12H,1-9H2 |
| InChIKey | ZSZROXCAFYZNHE-UHFFFAOYSA-N |
| SMILES | C(C1CCCCC1)(N1CCNCC1)=O |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H315-H318-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 37/38-41 |
| Safety statements (S) | 26-36/37/39 |
| Water hazard class (WGK) | 3 |
| Customs code | 2933599590 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Eye Dam. 1Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 2933599590 |
| Risk statements (R) | 37/38-41 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36/37/39 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H318-H335 |
| Hazard class | Eye Dam. 1Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
1-(Cyclohexylcarbonyl)piperazine is mainly used as a pharmaceutical intermediate.