Basic information
- CAS
1208830-66-3- Standard SMILES
COc1cccc2c(N)c(Cl)cnc12- InChIKey
XWPBDHGWSXNUCK-UHFFFAOYSA-N- Molecular formula
- C10H9ClN2O
- Average molar mass
- 208.64 g/mol
- Monoisotopic mass
- 208.0403406
Names & identifiers
- Preferred name
- 3-Chloro-8-methoxyquinolin-4-amine
- IUPAC
- 3-chloro-8-methoxyquinolin-4-amine
- English name
- 4-Amino-3-chloro-8-methoxyquinoline
- Molecular formula
- C10H9ClN2O
- Molecular weight
- 208.64
Names & synonyms
3-chloro-8-methoxyquinolin-4-amine1208830-66-3SCHEMBL436008DTXSID006727414-Amino-3-chloro-8-methoxyquinoline4-Quinolinamine, 3-chloro-8-methoxy-
Database identifiers
- CAS
1208830-66-3- PubChem CID
- 45925852
- DTXSID
DTXSID00672741
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 365.2 · 365.2±37.0 °C(Predicted)
- Density
- 1.346 · 1.346±0.06 g/cm3(Predicted)
- pka
- 4.88 · 4.88±0.50(Predicted)
Chemistry & industry
Suppliers1 total
BioBlocks Incorporated[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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