Basic information
- CAS
22506-13-4- Standard SMILES
CCN(CC)Cc1ccc(O)c2ncccc12- InChIKey
QPWSNIQRSNHHSJ-UHFFFAOYSA-N- Molecular formula
- C14H18N2O
- Average molar mass
- 230.31 g/mol
- Monoisotopic mass
- 230.1419132
Names & identifiers
- Preferred name
- 5-((Diethylamino)methyl)quinolin-8-ol
- IUPAC
- 5-(diethylaminomethyl)quinolin-8-ol
- English name
- 5-[(Diethylamino)methyl]quinolin-8-ol
- Molecular formula
- C14H18N2O
- Molecular weight
- 230.31
Names & synonyms
5-[(diethylamino)methyl]quinolin-8-ol22506-13-45-((Diethylamino)methyl)quinolin-8-olDTXSID50408512RefChem:299158DTXCID60359364963-047-45-(diethylaminomethyl)quinolin-8-olSCHEMBL5594514CHEMBL3251398HMS1631L09XAA50613
Show more names
8-Quinolinol, 5-[(diethylamino)methyl]-
MFCD06285492AKOS001868110CCG-142871SB69486DB-368184EN300-13543G42886SR-01000153714
Database identifiers
- CAS
22506-13-4- PubChem CID
- 5118730
- DTXSID
DTXSID50408512- ChEMBL
CHEMBL3251398- EC Number
- 963-047-4
- Nikkaji
- J2.159.241B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 70 · 70-72.8 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 373.7 · 373.7±27.0 °C(Predicted)
- Density
- 1.124 · 1.124±0.06 g/cm3(Predicted)
- pka
- 4.3 · 4.30±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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