Grundinformationen
- CAS
106-57-0- Standard-SMILES
O=C1CNC(=O)CN1- InChIKey
BXRNXXXXHLBUKK-UHFFFAOYSA-N- Summenformel
- C4H6N2O2
- Durchschnittliche Molmasse
- 114,1 g/mol
- Monoisotopische Masse
- 114,04292744
Namen und Bezeichner
- Bevorzugter Name
- 2,5-Piperazinedione
- IUPAC
- piperazine-2,5-dione
- Lokaler Name
- Piperazin-2,5-dion
- Englischer Name
- Glycine anhydride
- Summenformel
- C4H6N2O2
- Molmasse
- 114.1
Namen und Synonyme
Piperazine-2,5-dione2,5-Piperazinedione106-57-0GLYCINE ANHYDRIDE2,5-DIKETOPIPERAZINE2,5-DioxopiperazineCycloglycylglycineCyclodiglycineCyclo(glycylglycyl)Glycylglycine lactamDiglycolyl diamideGlycine, bimol. cyclic peptide
Weitere Namen anzeigen
Diketopiperazine2,5-DioxopiperazinGlycine EP Impurity Bc(Gly-Gly)Oxiracetam-1GlycinanhydridCYCLO(-GLY-GLY)
diglycolyldiamidealpha,gamma-Diacipiperazine240L69DTV7NSC-26345DTXSID8059342CHEBI:165352,5-Diazacyclohexane-1,4-dionecyclo(Gly-Gly)
Datenbank-Bezeichner
- CAS
106-57-0- PubChem CID
- 7817
- DTXSID
DTXSID8059342- ChEMBL
CHEMBL125229- ChEBI
CHEBI:16535- UNII
- 240L69DTV7
- EC Number
- 203-411-5
- Nikkaji
- J4.036C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,3
- Polarare Oberfläche (TPSA)
- 58,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 116
Experimentelle und physikochemische Eigenschaften
Physical DescriptionSolid; [Merck Index] White powder; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C (lit.)
- Siedepunkt
- 213.59 °C · 213.59°C (rough estimate)
- Dichte
- 1.3565 · 1.3565 (rough estimate)
- Brechungsindex
- 1.4487 · 1.4487 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 142 g/l · 142g/l
- pka
- 12.88 · 12.88±0.20(Predicted)
- Aggregatzustand
- Crystalline Powder
- Farbe
- White to slightly yellow
- Wasserlöslichkeit
- Soluble in water (142mg/L).
- Merck
- 14 · 14,7466
- BRN
- 112112 · 112112
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
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.；There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information2,5-Piperazinedione: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Piperazine and salts.
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)
Regulatorische Informationen
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information2,5-Piperazinedione: ACTIVE
Anwendungen
Verwenden2,5-Piperazinedione, can be used as an intermediate in the preparation of various pharmaceutical and biologically active compounds. It can be used in the synthesis of dipeptide isosteres by cross-metathesis.
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