Piperazine-2,6-dione

HCID 338690

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Basic information

CAS: 4774-22-5
Standard SMILES: O=C1CNCC(=O)N1
InChIKey: CYJAWBVQRMVFEO-UHFFFAOYSA-N
Molecular formula: C4H6N2O2
Average molar mass: 114.1 g/mol
Monoisotopic mass: 114.04292744

Names & identifiers

Preferred name: Piperazine-2,6-dione
IUPAC: piperazine-2,6-dione
English name: Piperazine-2,6-dione
Molecular formula: C4H6N2O2
Molecular weight: 114.1

Names & synonyms

piperazine-2,6-dioneDTXSID90320623RefChem:1096064DTXCID102717444774-22-52,6-Piperazinedione2,6-dioxopiperazineMFCD11109779NSC362116SCHEMBL2697552,6-piperazinedione, hydrochlorideAKOS006238344

Show more names

MFCD17392879

DS-10672SY019427EN300-59857Dimethyloltert-butylamine3,5-dioxopiperazinePiperazine-26-dioneA7298FT-0647856

Database identifiers

CAS: 4774-22-5
PubChem CID: 338690
DTXSID: DTXSID90320623
ChEMBL: CHEMBL4549017
Nikkaji: J3.678.760K

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 118

Physicochemical properties

Melting point: 150 °C · >150 °C (decomp)
Boiling point: 338.6 · 338.6±35.0 °C(Predicted)
Density: 1.246 · 1.246±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: solid
pka: 10.9 · 10.90±0.20(Predicted)
Appearance: Off-white to pale purple Solid
InChI: 1S/C4H6N2O2/c7-3-1-5-2-4(8)6-3/h5H,1-2H2,(H,6,7,8)
InChIKey: CYJAWBVQRMVFEO-UHFFFAOYSA-N
SMILES: O=C1CNCC(=O)N1
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Risk Statements: 43 · 43
Safety Statements: 36 · 36/37
WGK Germany: 3 · WGK 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1