Basic information
- CAS
7545-62-2- Standard SMILES
CN(C)Cc1ccc(O)c2ncccc12- InChIKey
NKOUWOKWAAFOPU-UHFFFAOYSA-N- Molecular formula
- C12H14N2O
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.11061307
Names & identifiers
- Preferred name
- 5-((Dimethylamino)methyl)quinolin-8-ol
- IUPAC
- 5-[(dimethylamino)methyl]quinolin-8-ol
- English name
- 5-diMethylaMinoMethyl-quinolin-8-ol
- Molecular formula
- C12H14N2O
- Molecular weight
- 202.25
Names & synonyms
5-((Dimethylamino)methyl)quinolin-8-ol7545-62-25-[(dimethylamino)methyl]quinolin-8-ol5-dimethylaminomethyl-quinolin-8-olCHEMBL3251397DTXSID10408513AKOS002717874SB70346DB-2635468-Quinolinol, 5-[(dimethylamino)methyl]-
Database identifiers
- CAS
7545-62-2- PubChem CID
- 5118731
- DTXSID
DTXSID10408513- ChEMBL
CHEMBL3251397
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 347.6 · 347.6±27.0 °C(Predicted)
- Density
- 1.177 · 1.177±0.06 g/cm3(Predicted)
- pka
- 3.99 · 3.99±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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