Grundinformationen
- CAS
122-96-3- Standard-SMILES
OCCN1CCN(CCO)CC1- InChIKey
VARKIGWTYBUWNT-UHFFFAOYSA-N- Summenformel
- C8H18N2O2
- Durchschnittliche Molmasse
- 174,24 g/mol
- Monoisotopische Masse
- 174,13682782
Namen und Bezeichner
- Bevorzugter Name
- 1,4-Piperazinediethanol
- IUPAC
- 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
- Lokaler Name
- Piperazin-1,4-diethanol
- Englischer Name
- 1,4-BIS(2-HYDROXYETHYL)PIPERAZINE
- Summenformel
- C8H18N2O2
- Molmasse
- 174.24
Namen und Synonyme
122-96-31,4-Piperazinediethanol1,4-Di(2-hydroxyethyl)piperazineDTXSID3029158UNII-EQ349PKX8YEINECS 204-586-0di(N-Hydroxyethyl)piperazineEQ349PKX8YNSC 31268NSC-31268NSC-36645BRN 0108245
Weitere Namen anzeigen
2-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]ETHANOLAKOS BB-49361,4-BIS(2-HYDROXYETHN,N'-PIPERAZINDIETHANOLN,N'-PIPERAZINEDIETHANOLpiperazine-1,4-diethanolPiperazine-1,4-bisethanolDI(HYDROXYETHYL)PIPERAZINEN,N'-Dihydroxyethylpiperazine
AI3-03876NSC-26892DTXCID8091585-23-01-00484 (Beilstein Handbook Reference)RefChem:73382N,N'Dihydroxyethylpiperazine1,4Di(2hydroxyethyl)piperazineN,N'Di(2hydroxyethyl)piperazine
Datenbank-Bezeichner
- CAS
122-96-3- PubChem CID
- 67151
- DTXSID
DTXSID3029158- ChEMBL
CHEMBL118235- UNII
- EQ349PKX8Y
- EC Number
- 204-586-0
- Nikkaji
- J1.038.075H、J20E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,3
- Polarare Oberfläche (TPSA)
- 46,9 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 99,6
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Piperazines
SpringerMaterials PropertiesFusion temperature
Physical Description
Liquid
White crystalline powder; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 133.5 · 133.5-136 °C(lit.)
- Siedepunkt
- 215 · 215-220 °C50 mm Hg(lit.)
- Dichte
- 1.097 · 1.097
- Dampfdruck
- 0.004 Pa · 0.004Pa at 20℃
- Brechungsindex
- 1.454 · 1.4540 (estimate)
- Flammpunkt
- 166 ℃ · 166℃
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- powder to crystal
- pka
- 14.66 · 14.66±0.10(Predicted)
- Farbe
- White to Almost white
- Wasserlöslichkeit
- Soluble in water.
- InChI
- 1S/C8H18N2O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h11-12H,1-8H2
- InChIKey
- VARKIGWTYBUWNT-UHFFFAOYSA-N
- SMILES
- OCCN1CCN(CCO)CC1
- LogP
- -1.92 at · -1.92 at 20℃
- CAS Datenbank
- 122 · 122-96-3(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1,4-Piperazinediethanol (122-96-3)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H318 (94.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 113 reports by companies from 5 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
1,4-Piperazinediethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Piperazinediethanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Piperazine-1,4-diethanol (EC: 204-586-0)
Hazards SummaryA mild skin irritant; Oral LD50 (rat) = 3.73 mL/kg; Dermal LD50 (rabbit) > 10 mL/kg; [RTECS] An irritant; [Acros Organics MSDS]
Hazard Classes and CategoriesEye Dam. 1 (94.7%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933.59.9500
- RTECS-Nr.
- TL3675000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Dam. 1
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 250,000 - <400,000 lb
Industry UsesSolvent
General Manufacturing Information
Petroleum Refineries
1,4-Piperazinediethanol: ACTIVE
Anwendungen
Verwenden1,4-Piperazinediethanol is useful in the synthesis of salt-inducible kinase inhibitors for the treatment of diseases.
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