Basic information
- CAS
50786-31-7- Standard SMILES
Nc1cc2ncccc2nc1N- InChIKey
UQXKSHQOGRBLPO-UHFFFAOYSA-N- Molecular formula
- C8H8N4
- Average molar mass
- 160.18 g/mol
- Monoisotopic mass
- 160.07489627
Names & identifiers
- Preferred name
- 1,5-Naphthyridine-2,3-diamine
- IUPAC
- 1,5-naphthyridine-2,3-diamine
- English name
- 1,5-Naphthyridine-2,3-diamine
- Molecular formula
- C8H8N4
- Molecular weight
- 160.18
Names & synonyms
1,5-NAPHTHYRIDINE-2,3-DIAMINE50786-31-7SCHEMBL3293181DTXSID60503683DB-259255
Database identifiers
- CAS
50786-31-7- PubChem CID
- 12593003
- DTXSID
DTXSID60503683
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 375.5 · 375.5±37.0 °C(Predicted)
- Density
- 1.398 · 1.398±0.06 g/cm3(Predicted)
- pka
- 5.46 · 5.46±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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