4,4'-(1,2-Ethanediyl)bis(2,6-piperazinedione)
Basic information
- CAS
1506-47-4- Standard SMILES
O=C1CN(CCN2CC(=O)NC(=O)C2)CC(=O)N1- InChIKey
GBLIGNUYGOFIKS-UHFFFAOYSA-N- Molecular formula
- C10H14N4O4
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.10150494
Names & identifiers
- Preferred name
- 4,4'-(1,2-Ethanediyl)bis(2,6-piperazinedione)
- IUPAC
- 4-[2-(3,5-dioxopiperazin-1-yl)ethyl]piperazine-2,6-dione
- English name
- Ethyliminum
- Molecular formula
- C10H14N4O4
- Molecular weight
- 254.24
Names & synonyms
1506-47-41,2-Bis(3,5-dioxopiperazin-1-yl)ethane2,6-Piperazinedione, 4,4'-(1,2-ethanediyl)bis-NSC-129942QML51S42CD2,6-Piperazinedione, 4,4'-ethylenedi-DTXSID401645794,4'-(1,2-ethanediyl)bis(2,6-piperazinedione)4,4'-(1,2-Ethanediyl)bis[2,6-piperazinedione]RefChem:411352DTXCID0087070622-255-2
Show more names
SALOR-INT L163228-1EA4,4'-Ethylenedi(2,6-piperazinedione)4,4'-(1,2-Ethylene)bis[2,6-piperazinedione4,4′-(1,2-Ethanediyl)bis[2,6-piperazinedione2,6-Piperazinedione,4,4'-(1,2-ethanediyl)bis-
EthyliminumIcrf-1544-[2-(3,5-dioxopiperazin-1-yl)ethyl]piperazine-2,6-dione4,4'-(ethane-1,2-diyl)bis(piperazine-2,6-dione)NSC1299421,2-bis(3,5-dioxo-1-piperazinyl)ethaneUNII-QML51S42CD4,4'-ethane-1,2-diyldipiperazine-2,6-dione
Database identifiers
- CAS
1506-47-4- PubChem CID
- 72760
- DTXSID
DTXSID40164579- ChEMBL
CHEMBL2361164- UNII
- QML51S42CD
- EC Number
- 622-255-2
- Nikkaji
- J395.066B
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 295 · 295-300 °C
- Boiling point
- 539.9 · 539.9±50.0 °C(Predicted)
- Density
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- storage temp.
- Room Temperature
- solubility
- Dichloromethane/Methanol (8:2); DMSO; Methanol (heated)
- form
- Solid
- pka
- 10.71 · 10.71±0.20(Predicted)
- color
- White
- FDA UNII
- 51 S42CD · QML51S42CD
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319-H335-H317-H315
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H319-H335-H317-H315
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses1,2-Bis(3,5-dioxo-1-piperazinyl)ethane is an intermediate in synthesizing Bimolane (B386845). It is a catalytic inhibitors of topoisomerase II and has been used for the treatment of cancer, psoriasis and uveitis in humans.
Related reactions
2 records
Compound notes
Loading…