Basic information
- CAS
731831-60-0- Standard SMILES
Oc1ccc(Cl)cc1CNc1cccc2cccnc12- InChIKey
MLBCNCYGCAFPAD-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O
- Average molar mass
- 284.74 g/mol
- Monoisotopic mass
- 284.0716407
Names & identifiers
- Preferred name
- 4-Chloro-2-[(quinolin-8-ylamino)methyl]phenol
- IUPAC
- 4-chloro-2-[(quinolin-8-ylamino)methyl]phenol
- English name
- 4-chloro-2-[(quinolin-8-ylamino)methyl]phenol
- Molecular formula
- C16H13ClN2O
- Molecular weight
- 284.74
Names & synonyms
4-chloro-2-[(quinolin-8-ylamino)methyl]phenolMLS0012058274-Chloro-2-(quinolin-8-ylaminomethyl)-phenolSMR0005233014-chloro-2-((quinolin-8-ylamino)methyl)phenol731831-60-0cid_950852CHEMBL1377417BDBM58331DTXSID601323889HMS2825N21STK001049
Show more names
Phenol, 4-chloro-2-[(8-quinolinylamino)methyl]-
AKOS0002302904-chloro-2-[(8-quinolylamino)methyl]phenol4-chloro-2-[(8-quinolinylamino)methyl]phenol4-chloranyl-2-[(quinolin-8-ylamino)methyl]phenol4-Chloro-2-{[(quinolin-8-yl)amino]methyl}phenolSR-01000320001SR-01000320001-1
Database identifiers
- CAS
731831-60-0- PubChem CID
- 950852
- DTXSID
DTXSID601323889- ChEMBL
CHEMBL1377417
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Experimental & physicochemical properties
Solubility0.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 481.1 · 481.1±40.0 °C(Predicted)
- Density
- 1.373 · 1.373±0.06 g/cm3(Predicted)
- pka
- 9.33 · 9.33±0.43(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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