Basic information
- CAS
3027-05-2- Standard SMILES
CC(=O)N1CC(=O)N(C(C)=O)CC1=O- InChIKey
CBBKKVPJPRZOCM-UHFFFAOYSA-N- Molecular formula
- C8H10N2O4
- Average molar mass
- 198.18 g/mol
- Monoisotopic mass
- 198.0640568
Names & identifiers
- Preferred name
- 1,4-Diacetyl-2,5-piperazinedione
- IUPAC
- 1,4-diacetylpiperazine-2,5-dione
- English name
- N,N'-DIACETYLGLYCINE ANHYDRIDE
- Molecular formula
- C8H10N2O4
- Molecular weight
- 198.18
Names & synonyms
1,4-Diacetyl-2,5-piperazinedioneRefChem:416646664-262-31,4-diacetylpiperazine-2,5-dione3027-05-2N,N'-Diacetylglycine Anhydride1,4-diacetyltetrahydro-2,5-pyrazinedione2,5-Piperazinedione, 1,4-diacetyl-1,4-DIACETYL-PIPERAZINE-2,5-DIONEMFCD00059789DTXSID90337231N,N'-diacetyl-2,5-piperazinedione
Show more names
No standard CAS name1,4-diethylacylazine-2,5-dioneN,N'-diacetyipiperazin-2,5-dioneN,N′-Diacetyl-2,5-dioxopiperazine
1,4-Diacetyl-2,5-diketopiperazineSY051121D7258112B-033AMY70261,4-Diacetyl-2,5-dioxopiperazineN,N'-Diace21827-92-9
Database identifiers
- CAS
3027-05-2- PubChem CID
- 540371
- DTXSID
DTXSID90337231- EC Number
- 664-262-3
- Nikkaji
- J150.898I
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Melting point
- 99 · 99-100°C
- Boiling point
- 424.4 · 424.4±38.0 °C(Predicted)
- Density
- 1.375 · 1.375±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- pka
- -1.74 · -1.74±0.20(Predicted)
- color
- White to Light yellow to Light orange
- BRN
- 188115 · 188115
- InChI
- InChI=1S/C8H10N2O4/c1-5(11)9-3-8(14)10(6(2)12)4-7(9)13/h3-4H2,1-2H3
- InChIKey
- CBBKKVPJPRZOCM-UHFFFAOYSA-N
- SMILES
- N1(C(C)=O)CC(=O)N(C(C)=O)CC1=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H317-H319
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933.59.9500
- risk_code
- 36/37/38-43-36/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39-36/37
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H317-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
DescriptionN,N'-diacetylglycine anhydride, also known as diacetylated glycylglycine, can be obtained by acylation of glycylglycine with acetic anhydride. N,N'-diacetylglycine anhydride can be used to prepare DL-neopentylglycine derivatives.
Preparation methods
PreparationAfter the mixed reaction of glycylglycine and acetic anhydride, ethyl acetate and petroleum ether are added in sequence to obtain the intermediate N,N'-diacetylglycine anhydride.
Upstream & downstream products
Upstream raw materials
Suppliers99 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Related reactions
26 records
Compound notes
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