Basic information
- CAS
1393845-70-9- Standard SMILES
CC(=O)Nc1cccc2cc(I)cnc12- InChIKey
GHGQOWJMGOYLPH-UHFFFAOYSA-N- Molecular formula
- C11H9IN2O
- Average molar mass
- 312.11 g/mol
- Monoisotopic mass
- 311.97596
Names & identifiers
- Preferred name
- N-(3-iodoquinolin-8-yl)acetamide
- IUPAC
- N-(3-iodoquinolin-8-yl)acetamide
Names & synonyms
N-(3-iodoquinolin-8-yl)acetamideRefChem:826613938-970-01393845-70-9MFCD22383944DTXSID001294406N-(3-Iodo-8-quinolinyl)acetamideAKOS016028509Acetamide, N-(3-iodo-8-quinolinyl)-HG-0213CS-0337444
Database identifiers
- CAS
1393845-70-9- PubChem CID
- 71299232
- DTXSID
DTXSID001294406- EC Number
- 938-970-0
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
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]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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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