6-Isobutoxy-2-methylquinolin-4-ol
Basic information
- CAS
405898-26-2- Standard SMILES
Cc1cc(=O)c2cc(OCC(C)C)ccc2[nH]1- InChIKey
UPQHKWQRXLZGPQ-UHFFFAOYSA-N- Molecular formula
- C14H17NO2
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.12592879
Names & identifiers
- Preferred name
- 6-Isobutoxy-2-methylquinolin-4-ol
- IUPAC
- 2-methyl-6-(2-methylpropoxy)-1H-quinolin-4-one
Names & synonyms
6-isobutoxy-2-methylquinolin-4-ol2-methyl-6-(2-methylpropoxy)quinolin-4-olSBB016278AKOS000273761405898-26-2ST50208104F3099-6276
Database identifiers
- CAS
405898-26-2- PubChem CID
- 735347
- EC Number
- 109-839-8
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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