2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-3-ethyl-6-methyl-
Basic information
- CAS
38931-24-7- Standard SMILES
CCC1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O- InChIKey
QYLPIXCVCYEBTO-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.12117776
Names & identifiers
- Preferred name
- 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-3-ethyl-6-methyl-
- IUPAC
- 2,5-bis(aziridin-1-yl)-3-ethyl-6-methylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
Tw 3238931-24-7TW322,5-bis(aziridin-1-yl)-3-ethyl-6-methylcyclohexa-2,5-diene-1,4-dione2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-3-ethyl-6-methyl-CHEMBL72302SCHEMBL19732381DTXSID00192217
Database identifiers
- CAS
38931-24-7- PubChem CID
- 148295
- DTXSID
DTXSID00192217- ChEMBL
CHEMBL72302- Nikkaji
- J353.018C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 480
Experimental & physicochemical properties
LogP1.35
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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