1,4-Naphthalenedione, 2-(methylphenylamino)-
Basic information
- CAS
18274-98-1- Standard SMILES
CN(C1=CC(=O)c2ccccc2C1=O)c1ccccc1- InChIKey
AUVGWGXCTGPJKZ-UHFFFAOYSA-N- Molecular formula
- C17H13NO2
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.09462866
Names & identifiers
- Preferred name
- 1,4-Naphthalenedione, 2-(methylphenylamino)-
- IUPAC
- 2-(N-methylanilino)naphthalene-1,4-dione
Names & synonyms
1,4-Naphthalenedione, 2-(methylphenylamino)-18274-98-12-(N-methylanilino)naphthalene-1,4-dioneF0787-00282-(methyl(phenyl)amino)naphthalene-1,4-dione2-[METHYL(PHENYL)AMINO]NAPHTHALENE-1,4-DIONEIFLab1_003843CHEMBL1631464SCHEMBL13384884SCHEMBL29746369DTXSID00400602HMS1422O15
Show more names
KUC111762NSMSSF-0060727AKOS024600001IDI1_009950KSC-293-0642-(N-methyl-N-phenylamino)-1,4-naphthalenedioneSR-01000009139SR-01000009139-1
Database identifiers
- CAS
18274-98-1- PubChem CID
- 4192149
- DTXSID
DTXSID00400602- ChEMBL
CHEMBL1631464
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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