2,5-Diamino-3,6-bis(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
59886-51-0- Standard SMILES
NC1=C(N2CC2)C(=O)C(N)=C(N2CC2)C1=O- InChIKey
DVQQTSYUTWYAIS-UHFFFAOYSA-N- Molecular formula
- C10H12N4O2
- Average molar mass
- 220.23 g/mol
- Monoisotopic mass
- 220.09602564
Names & identifiers
- Preferred name
- 2,5-Diamino-3,6-bis(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2,5-diamino-3,6-bis(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
- English name
- 3,6-Diamino-2,5-bis(1-aziridinyl)-1,4-benzoquinone
- Molecular formula
- C10H12N4O2
- Molecular weight
- 220.23
Names & synonyms
59886-51-02,5-diamino-3,6-bis(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione2,6-diamino-1,4-benzoquinoneNSC246111NSC-2461113,6-Diamino-2,5-bis(1-aziridinyl)-1,4-benzoquinoneCHEMBL163538SCHEMBL10800878DTXSID70330341DB-2284752,4-dione, 2,5-diamino-3,6-bis(1-aziridinyl)-2,5-Cyclohexadiene-1,4-dione, 2,5-diamino-3,6-bis(1-aziridinyl)-
Database identifiers
- CAS
59886-51-0- PubChem CID
- 429048
- DTXSID
DTXSID70330341- ChEMBL
CHEMBL163538- Nikkaji
- J395.079D
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 425
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Related reactions
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Compound notes
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