Basic information
- CAS
5625-46-7- Standard SMILES
CC1NC(=O)C(C)NC1=O- InChIKey
WWISPHBAYBECQZ-UHFFFAOYSA-N- Molecular formula
- C6H10N2O2
- Average molar mass
- 142.16 g/mol
- Monoisotopic mass
- 142.07422757
Overview
Pyrazine, 3,6-dihydro-3,6-dimethyl-2,5-dihydroxy- is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.
Names & identifiers
- Preferred name
- 3,6-Dimethylpiperazine-2,5-dione
- IUPAC
- 3,6-dimethylpiperazine-2,5-dione
- English name
- DL-2-Aminopropionic anhydride
- Molecular formula
- C6H10N2O2
- Molecular weight
- 142.16
Names & synonyms
3,6-Dimethylpiperazine-2,5-dioneRefChem:91783227-058-15625-46-7Alanine anhydride3,6-Dimethyl-2,5-piperazinedione2,5-Piperazinedione, 3,6-dimethyl-3,6-DIMETHYL PIPERAZINE-2,5-DIONEdl-Alanine anhydrideMFCD00023153BRN 00821202, 3,6-dimethyl-
Show more names
Cyclo-DL-Ala-DL-AlaAlanine anhydride 99%alaninediketopiperazineCyclo-DL-alanyl-DL-alanine3,6-dimethylazine-2,5-dioneDL-2-Aminopropionic anhydrideDL-Alanine anhydride, HPLC 95%3,6-dimethyl-5-piperazinedione
SCHEMBL7643613,6-Dimethyl-piperazine-2,5-dioneAKOS005423713CS-W016429DS-6071SY107292Cyclo (L-Ala-L-ala)Alanine diketopiperazine
Database identifiers
- CAS
5625-46-7- PubChem CID
- 97704
- DTXSID
DTXSID60971681
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 283 · 283-285 °C(lit.)
- Boiling point
- 259.72 °C · 259.72°C (rough estimate)
- Density
- 1.081 · 1.081
- refractive index
- 1.501 · 1.5010 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 1 M · 1 M HCl: soluble25mg/mL, clear, colorless to light yellow
- pka
- 12.97 · 12.97±0.60(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)
- InChIKey
- WWISPHBAYBECQZ-UHFFFAOYSA-N
- SMILES
- CC1NC(=O)C(C)NC1=O
- EWG's Food Scores
- 1 · 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information2,5-Piperazinedione, 3,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- 3
- rtecs
- TL6380150
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers56 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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