6,7-Diaminoquinoline-5,8-dione
Basic information
- CAS
22811-75-2- Standard SMILES
NC1=C(N)C(=O)c2ncccc2C1=O- InChIKey
IUAIFBJHUMMXSY-UHFFFAOYSA-N- Molecular formula
- C9H7N3O2
- Average molar mass
- 189.17 g/mol
- Monoisotopic mass
- 189.05382648
Names & identifiers
- Preferred name
- 6,7-Diaminoquinoline-5,8-dione
- IUPAC
- 6,7-diaminoquinoline-5,8-dione
Names & synonyms
6,7-diaminoquinoline-5,8-dione22811-75-2NSC81051DTXSID70292238NSC-81051
Database identifiers
- CAS
22811-75-2- PubChem CID
- 255472
- DTXSID
DTXSID70292238
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 335
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Related reactions
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Compound notes
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