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106-57-0 molecular structure
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piperazine-2,5-dione

ChemBase ID: 87103
Molecular Formular: C4H6N2O2
Molecular Mass: 114.10264
Monoisotopic Mass: 114.04292744
SMILES and InChIs

SMILES:
N1C(=O)CNC(=O)C1
Canonical SMILES:
O=C1NCC(=O)NC1
InChI:
InChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)
InChIKey:
BXRNXXXXHLBUKK-UHFFFAOYSA-N

Cite this record

CBID:87103 http://www.chembase.cn/molecule-87103.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
piperazine-2,5-dione
IUPAC Traditional name
2,5-piperazinedione
Synonyms
2,5-Dioxopiperazine
Glycine anhydride
Piperazine-2,5-dione
2,5-Diketopiperazine
2,5-Piperazinedione
GLYCINE ANHYDRIDE
Glycine anhydride
2,5-DIKETOPIPERAZINE
2,5-二酮哌嗪
2,5-哌嗪二酮
甘氨酸酐
CAS Number
106-57-0
EC Number
203-411-5
MDL Number
MFCD00006009
Beilstein Number
112112
Merck Index
147466
PubChem SID
24873334
162074219
24895298
PubChem CID
7817

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.892182  H Acceptors
H Donor LogD (pH = 5.5) -2.210568 
LogD (pH = 7.4) -2.2106903  Log P -2.2105665 
Molar Refractivity 25.607 cm3 Polarizability 9.922667 Å3
Polar Surface Area 58.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
>300 °C(lit.) expand Show data source
>300°C expand Show data source
ca 300°C dec. expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
TL6325250 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98.0% (N) expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C4H6N2O2 expand Show data source
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05206035 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02101824 external link
Crystalline
Sigma Aldrich - G7251 external link
包装
1 kg in poly bottle
25, 100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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