2-[(2-Phenylethyl)amino]naphthoquinone
Basic information
- CAS
38528-36-8- Standard SMILES
O=C1C=C(NCCc2ccccc2)C(=O)c2ccccc21- InChIKey
UTTUTHLCEQWYEB-UHFFFAOYSA-N- Molecular formula
- C18H15NO2
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.11027872
Names & identifiers
- Preferred name
- 2-[(2-Phenylethyl)amino]naphthoquinone
- IUPAC
- 2-(2-phenylethylamino)naphthalene-1,4-dione
Names & synonyms
2-[(2-Phenylethyl)amino]naphthoquinone38528-36-82-(2-phenylethylamino)naphthalene-1,4-dioneNSC196313CHEMBL2334463SCHEMBL15700173DTXSID80307908UTTUTHLCEQWYEB-UHFFFAOYSA-NAKOS004902904NSC-1963132-[N-Phenethylamino]-1,4-naphthoquinone2-[(2-Phenylethyl)amino]naphthoquinone #
Show more names
DS-0084481,4-Naphthalenedione,2-[(2-phenylethyl)amino]-AK-693/434669962-[(2-PHENYLETHYL)AMINO]NAPHTHALENE-1,4-DIONE
Database identifiers
- CAS
38528-36-8- PubChem CID
- 304447
- DTXSID
DTXSID80307908- ChEMBL
CHEMBL2334463- Nikkaji
- J1.157.450E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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