5-Nitroquinolin-6-amine
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Basic information
- CAS
42606-37-1- Standard SMILES
Nc1ccc2ncccc2c1[N+](=O)[O-]- InChIKey
ODYNEPWXXLCZNR-UHFFFAOYSA-N- Molecular formula
- C9H7N3O2
- Average molar mass
- 189.17 g/mol
- Monoisotopic mass
- 189.05382648
Names & identifiers
- Preferred name
- 5-Nitroquinolin-6-amine
- IUPAC
- 5-nitroquinolin-6-amine
- English name
- 5-Nitro-6-aminoquinoline
- Molecular formula
- C9H7N3O2
- Molecular weight
- 189.17
Names & synonyms
5-nitroquinolin-6-amine42606-37-15-Nitro-6-aminoquinoline6-amino-5-nitroquinolineNSC109814SCHEMBL10309413(5-nitro-quinolin-6-yl)-amineDTXSID50296537NSC-109814DB-3503726-Quinolinamine, 5-nitro-
Database identifiers
- CAS
42606-37-1- PubChem CID
- 269209
- DTXSID
DTXSID50296537- Nikkaji
- J89.484B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 178 °C · 178 °C
- Boiling point
- 403.5 · 403.5±30.0 °C(Predicted)
- Density
- 1.445 · 1.445±0.06 g/cm3(Predicted)
- pka
- 3.46 · 3.46±0.15(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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