3,5,7-Trichloroquinolin-4-amine
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Basic information
- CAS
1211170-14-7- Standard SMILES
Nc1c(Cl)cnc2cc(Cl)cc(Cl)c12- InChIKey
CWZCQFBZVRCQLL-UHFFFAOYSA-N- Molecular formula
- C9H5Cl3N2
- Average molar mass
- 247.5 g/mol
- Monoisotopic mass
- 245.951831
Names & identifiers
- Preferred name
- 3,5,7-Trichloroquinolin-4-amine
- IUPAC
- 3,5,7-trichloroquinolin-4-amine
- English name
- 4-Amino-3,5,7-trichloroquinoline
- Molecular formula
- C9H5Cl3N2
- Molecular weight
- 247.51
Names & synonyms
3,5,7-trichloroquinolin-4-amine1211170-14-7SCHEMBL435967DTXSID906727904-Amino-3,5,7-trichloroquinoline4-Quinolinamine, 3,5,7-trichloro-
Database identifiers
- CAS
1211170-14-7- PubChem CID
- 45925902
- DTXSID
DTXSID90672790
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 369.2 · 369.2±37.0 °C(Predicted)
- Density
- 1.597 · 1.597±0.06 g/cm3(Predicted)
- pka
- 3.98 · 3.98±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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