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Basic information
- CAS
60599-33-9- Standard SMILES
N=C1C=C(N)C(=O)c2cccc(N)c21- InChIKey
FHPXUGNPLJQXOF-UHFFFAOYSA-N- Molecular formula
- C10H9N3O
- Average molar mass
- 187.2 g/mol
- Monoisotopic mass
- 187.07456192
Names & identifiers
- Preferred name
- 2,5-Diamino-1,4-naphthoquinone imine
- IUPAC
- 2,5-diamino-4-iminonaphthalen-1-one
Names & synonyms
2,5-Diamino-1,4-naphthoquinone imine60599-33-91(4H)-NAPHTHALENONE, 2,5-DIAMINO-4-IMINO-RefChem:827442,5-Diamino-4-imino-1(4H)-naphthalenoneBRN 32642562,5-Diamino-1,4-napthoquinone imine0-14-00-00172 (Beilstein Handbook Reference)DTXSID809760372,5-Diamino-4-iminonaphthalen-1(4H)-one
Database identifiers
- CAS
60599-33-9- PubChem CID
- 43370
- DTXSID
DTXSID80976037
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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