2,5-Bis(aziridin-1-yl)-3,6-bis(3-hydroxypiperidin-1-yl)cyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
59886-42-9- Standard SMILES
O=C1C(N2CC2)=C(N2CCCC(O)C2)C(=O)C(N2CC2)=C1N1CCCC(O)C1- InChIKey
SZPADLAJHTVKFF-UHFFFAOYSA-N- Molecular formula
- C20H28N4O4
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.21105539
Names & identifiers
- Preferred name
- 2,5-Bis(aziridin-1-yl)-3,6-bis(3-hydroxypiperidin-1-yl)cyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2,5-bis(aziridin-1-yl)-3,6-bis(3-hydroxypiperidin-1-yl)cyclohexa-2,5-diene-1,4-dione
Names & synonyms
59886-42-9NSC2493392,5-bis(aziridin-1-yl)-3,6-bis(3-hydroxypiperidin-1-yl)cyclohexa-2,5-diene-1,4-dioneDTXSID80330357NSC-249339DS-0006142,4-dione, 2,5-bis(1-aziridinyl)-3,6-bis(3-hydroxy-1-piperidinyl)-2,5-Cyclohexadiene-1,4-dione, 2,5-bis (1-aziridinyl)-3, 6-bis(3-hydroxy-1-piperidinyl)-
Database identifiers
- CAS
59886-42-9- PubChem CID
- 429170
- DTXSID
DTXSID80330357
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 704
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…