2,5-Bis(aziridin-1-yl)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
58256-27-2- Standard SMILES
COC1=C(N2CC2)C(=O)C(OC)=C(N2CC2)C1=O- InChIKey
UUOKSBAJESAYIE-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.09535693
Names & identifiers
- Preferred name
- 2,5-Bis(aziridin-1-yl)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2,5-bis(aziridin-1-yl)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Names & synonyms
58256-27-22,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-azirdinyl)-3,6-dimethoxy-2,5-bis(aziridin-1-yl)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dioneNSC95139CHEMBL895642,5-Bis(ethylenimino)-3,6-bis(methoxybenzoquinone)2,6-bisethyleniminobenzoquinoneDTXSID602069852,5-Bis(1-azirdinyl)-3,6-dimethoxy-2,5-cyclohexadiene-1,4-dioneNSC 95139NSC-951392,4-dione, 2,5-bis(1-aziridinyl)-3,6-dimethoxy-
Database identifiers
- CAS
58256-27-2- PubChem CID
- 96947
- DTXSID
DTXSID60206985- ChEMBL
CHEMBL89564- Nikkaji
- J350.529D
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 452
Experimental & physicochemical properties
LogP0.17
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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