Ethyl piperazine-1-acetate
ETHYL 2-(PIPERAZIN-1-YL)ACETATE · AKOS BC-0535 · AKOS BBS-00006885 · ETHYL PIPERAZINOACETATE · ETHYL 1-PIPERAZINEACETATE · Ethyl 2-Piperazinoacetate · ethyl piperazine-1-acetate · Ethyl 1-Piperazinylacetate
Identifiers & Physical Properties
| CAS No. | 40004-08-8 |
|---|---|
| Molecular formula | C8H16N2O2 |
| Average molar mass | 172.22 g/mol |
| Monoisotopic mass | 172.12117775 g/mol |
| SMILES | CCOC(=O)CN1CCNCC1 |
| InChIKey | MTFCXMJOGMHYAE-UHFFFAOYSA-N |
| PubChem CID | 207112 |
| ChEMBL | CHEMBL1221941 |
| ChEBI | CHEBI:188584 |
| EC No. | 254-745-3 |
| DTXSID | DTXSID30193070 |
Chemical & Physical Properties
| XLogP | -0.1 |
|---|---|
| Topological polar surface area | 41.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 144 |
| Boiling point | 127°C 13mm |
| Density | 1.048 g/mL at 20 °C (lit.) |
| Refractive index | n20/D 1.472 |
| Flash point | 127°C/13mm |
| Storage conditions | -20°C |
| Solubility | Chloroform, MethanolSoluble in water, chloroform, and methanol. |
| Physical state | Oil |
| pKa (acidity coefficient) | 8.96±0.10(Predicted) |
| Color | Clear |
| Sensitivity | Air Sensitive |
| BRN | 743260 |
| Major applications | peptide synthesis |
| InChI | 1S/C8H16N2O2/c1-2-12-8(11)7-10-5-3-9-4-6-10/h9H,2-7H2,1H3 |
| InChIKey | MTFCXMJOGMHYAE-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CN1CCNCC1 |
| CAS DataBase Reference | 40004-08-8(CAS DataBase Reference) |
| UNSPSC Code | 12352209 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| Hazard class | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 2933599590 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | WarningH315 (88.6%): 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 44 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 (88.6%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| Customs code | 2933599590 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 26-36 |
| Hazard class | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 10 - Combustible liquids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
N-(Ethoxycarbonylmethyl)piperazine is used in the preparation of aralkylpiperazine- and aryl-substituted hydrazines, particularly benzylpiperazineacetyl hydrazones of hydroxyaryl aldehydes, as selective inducers of apoptosis and activators of procaspases for use as anticancer agents.
Uses
1-(ETHOXYCARBONYLMETHYL)PIPERAZINE is used in the preparation of aralkylpiperazine- and aryl-substituted hydrazines, particularly benzylpiperazineacetyl hydrazones of hydroxyaryl aldehydes, as selecti ve inducers of apoptosis and activators of procaspases for use as anticancer agents.