Basic information
- CAS
106-57-0- Standard SMILES
O=C1CNC(=O)CN1- InChIKey
BXRNXXXXHLBUKK-UHFFFAOYSA-N- Molecular formula
- C4H6N2O2
- Average molar mass
- 114.1 g/mol
- Monoisotopic mass
- 114.04292744
Names & identifiers
- Preferred name
- 2,5-Piperazinedione
- IUPAC
- piperazine-2,5-dione
- English name
- Glycine anhydride
- Molecular formula
- C4H6N2O2
- Molecular weight
- 114.1
Names & synonyms
Piperazine-2,5-dione2,5-Piperazinedione106-57-0GLYCINE ANHYDRIDE2,5-DIKETOPIPERAZINE2,5-DioxopiperazineCycloglycylglycineCyclodiglycineCyclo(glycylglycyl)Glycylglycine lactamDiglycolyl diamideGlycine, bimol. cyclic peptide
Show more names
Diketopiperazine2,5-DioxopiperazinGlycine EP Impurity Bc(Gly-Gly)Oxiracetam-1GlycinanhydridCYCLO(-GLY-GLY)
diglycolyldiamidealpha,gamma-Diacipiperazine240L69DTV7NSC-26345DTXSID8059342CHEBI:165352,5-Diazacyclohexane-1,4-dionecyclo(Gly-Gly)
Database identifiers
- CAS
106-57-0- PubChem CID
- 7817
- DTXSID
DTXSID8059342- ChEMBL
CHEMBL125229- ChEBI
CHEBI:16535- UNII
- 240L69DTV7
- EC Number
- 203-411-5
- Nikkaji
- J4.036C
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
Physical DescriptionSolid; [Merck Index] White powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 300 °C · >300 °C (lit.)
- Boiling point
- 213.59 °C · 213.59°C (rough estimate)
- Density
- 1.3565 · 1.3565 (rough estimate)
- refractive index
- 1.4487 · 1.4487 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 142 g/l · 142g/l
- pka
- 12.88 · 12.88±0.20(Predicted)
- form
- Crystalline Powder
- color
- White to slightly yellow
- Water Solubility
- Soluble in water (142mg/L).
- Merck
- 14 · 14,7466
- BRN
- 112112 · 112112
- InChI
- 1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)
Safety & regulation
GHS classification
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.
Hazard information
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%)
Regulatory information
Regulatory Information2,5-Piperazinedione: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,5-Piperazinedione: ACTIVE
Applications
Uses2,5-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.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司
Related reactions
14 records
Compound notes
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