Grundinformationen
- Standard-SMILES
CCOC(=O)CN1CCNCC1- InChIKey
MTFCXMJOGMHYAE-UHFFFAOYSA-N- Summenformel
- C8H16N2O2
- Durchschnittliche Molmasse
- 172,22 g/mol
- Monoisotopische Masse
- 172,12117775
Überblick
Ethyl piperazinoacetate is an alpha-amino acid ester.
Namen und Bezeichner
- Bevorzugter Name
- Ethyl piperazine-1-acetate
- IUPAC
- ethyl 2-piperazin-1-ylacetate
- Lokaler Name
- Ethylpiperazin-1-acetat
- Englischer Name
- 1-(Ethoxycarbonylmethyl)piperazine
- Summenformel
- C8H16N2O2
- Molmasse
- 172.22
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
40004-08-8- PubChem CID
- 207112
- DTXSID
DTXSID30193070- ChEMBL
CHEMBL1221941- ChEBI
CHEBI:188584- EC Number
- 254-745-3
- Nikkaji
- J261.498G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,1
- Polarare Oberfläche (TPSA)
- 41,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 144
Physikochemische Eigenschaften
- Siedepunkt
- 127 °C · 127°C 13mm
- Dichte
- 1.048 g/mL · 1.048 g/mL at 20 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.472
- Flammpunkt
- 127 °C/13mm · 127°C/13mm
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Chloroform, Methanol
- Aggregatzustand
- Oil
- pka
- 8.96 · 8.96±0.10(Predicted)
- Farbe
- Clear
- Wasserlöslichkeit
- Soluble in water, chloroform, and methanol.
- BRN
- 743260 · 743260
- Major Application
- 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 Datenbank
- 40004 · 40004-08-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (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.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2933599590
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- hazard_class
- 8
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden1-(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.
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