Grundinformationen
- Standard-SMILES
NCCN1CCN(CCN)CC1- InChIKey
PAOXFRSJRCGJLV-UHFFFAOYSA-N- Summenformel
- C8H20N4
- Durchschnittliche Molmasse
- 172,27 g/mol
- Monoisotopische Masse
- 172,16879664
Namen und Bezeichner
- Bevorzugter Name
- 1,4-Piperazinediethylamine
- IUPAC
- 2-[4-(2-aminoethyl)piperazin-1-yl]ethanamine
- Lokaler Name
- Piperazin-1,4-diethylamin
- Englischer Name
- Piperazine-1,4-diethylamine
- Summenformel
- C8H20N4
- Molmasse
- 172.27
Namen und Synonyme
6531-38-01,4-PiperazinediethanaminePiperazine-1,4-diethylamine1,4-Piperazinediethylamine1,4-bis(2-aminoethyl)piperazineEINECS 229-428-8DTXSID6064400N,N'-BIS(2-AMINOETHYL)PIPERAZINE4H2W4524XV1,4-bis(2-aminoethyl)-1,4-diazacyclohexanePIPERAZINE, 1,4-BIS(2-AMINOETHYL)-RefChem:417031
Weitere Namen anzeigen
Gadobutrol Impurity 1771,4-Piperazinediethaneamine1,4-Piperazinediethanamine(9CI)N,N''-DI-(2-AMINOETHYL)PIPERAZINE2,2''-PIPERAZINE-1,4-DIYLDIETHANAMINE
DTXCID90445862,2'-(piperazine-1,4-diyl)diethanamine2-[4-(2-aminoethyl)piperazin-1-yl]ethanamineMFCD007200622-[4-(2-Amino-ethyl)-piperazin-1-yl]-ethylamine2,2'-(piperazine-1,4-diyl)bis(ethan-1-amine)SMR000009715UNII-4H2W4524XV
Datenbank-Bezeichner
- CAS
6531-38-0- PubChem CID
- 81020
- DTXSID
DTXSID6064400- ChEMBL
CHEMBL1542098- UNII
- 4H2W4524XV
- EC Number
- 229-428-8
- Nikkaji
- J29.034C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,8
- Polarare Oberfläche (TPSA)
- 58,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 95,6
Physikochemische Eigenschaften
- Schmelzpunkt
- 40 °C · 40 °C
- Siedepunkt
- 130 °C · 130 °C(Press: 12 Torr)
- Dichte
- 0.9675 g/cm3 · 0.9675 g/cm3(Temp: 25 °C)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Aggregatzustand
- Solid
- pka
- 10.41 · 10.41±0.10(Predicted)
- InChI
- InChI=1S/C8H20N4/c9-1-3-11-5-7-12(4-2-10)8-6-11/h1-10H2
- InChIKey
- PAOXFRSJRCGJLV-UHFFFAOYSA-N
- SMILES
- N1(CCN)CCN(CCN)CC1
- NIST chemische Informationen
- N,N'-Di-(2-aminoethyl)piperazine(6531-38-0)
- EPA chemische Informationen
- 1 · 1,4-Piperazinediethanamine (6531-38-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 95% (38 of 40) of all reports.
Not Classified
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 1,4-Piperazinediethanamine
1,4-Piperazinediethanamine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- tsca
- TSCA listed
- ridadr
- 1760
- hazard_class
- 8
- packing_group
- II
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1,4-Piperazinediethanamine: ACTIVE
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter50 Anbieter
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