Basic information
- CAS
69895-73-4- Standard SMILES
O=C1C=C(NCCNCCO)C(=O)c2ccccc21- InChIKey
OFVPQHPTRXUNRK-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609238
Names & identifiers
- Preferred name
- 2-[2-(2-Hydroxyethylamino)ethylamino]naphthalene-1,4-dione
- IUPAC
- 2-[2-(2-hydroxyethylamino)ethylamino]naphthalene-1,4-dione
Names & synonyms
2-[2-(2-hydroxyethylamino)ethylamino]naphthalene-1,4-dione69895-73-4NSC299189CHEMBL3247371SCHEMBL28084803DTXSID60316078NSC-299189DS-0038312-({2-[(2-Hydroxyethyl)amino]ethyl}amino)naphthalene-1,4-dione
Database identifiers
- CAS
69895-73-4- PubChem CID
- 326862
- DTXSID
DTXSID60316078- ChEMBL
CHEMBL3247371
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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