2-Chloro-3-(2-ethylaziridin-1-yl)naphthalene-1,4-dione
Basic information
- CAS
6336-35-2- Standard SMILES
CCC1CN1C1=C(Cl)C(=O)c2ccccc2C1=O- InChIKey
MGRRBSVCSKJMCX-UHFFFAOYSA-N- Molecular formula
- C14H12ClNO2
- Average molar mass
- 261.7 g/mol
- Monoisotopic mass
- 261.0556563
Names & identifiers
- Preferred name
- 2-Chloro-3-(2-ethylaziridin-1-yl)naphthalene-1,4-dione
- IUPAC
- 2-chloro-3-(2-ethylaziridin-1-yl)naphthalene-1,4-dione
- English name
- 2-chloro-3-(2-ethylaziridin-1-yl)naphthalene-1,4-dione
- Molecular formula
- C14H12ClNO2
- Molecular weight
- 261.7
Names & synonyms
2-chloro-3-(2-ethylaziridin-1-yl)naphthalene-1,4-dione6336-35-22-chloro-3-(2-ethylaziridin-1-yl)-1,4-dihydronaphthalene-1,4-dioneNSC39052DTXSID70284794NSC-390521,4-Naphthalenedione, 2-chloro-3-(2-ethyl-1-aziridinyl)-
Database identifiers
- CAS
6336-35-2- PubChem CID
- 236504
- DTXSID
DTXSID70284794
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Boiling point
- 356.1 · 356.1±42.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- -2.38 · -2.38±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…