N-(5-bromo-8-quinolinyl)acetamide
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Basic information
- CAS
99851-80-6- Standard SMILES
CC(=O)Nc1ccc(Br)c2cccnc12- InChIKey
SLAQIKQSLOLXAB-UHFFFAOYSA-N- Molecular formula
- C11H9BrN2O
- Average molar mass
- 265.11 g/mol
- Monoisotopic mass
- 263.98983
Names & identifiers
- Preferred name
- N-(5-bromo-8-quinolinyl)acetamide
- IUPAC
- N-(5-bromoquinolin-8-yl)acetamide
- English name
- CHEMBRDG-BB 5851236
- Molecular formula
- C11H9BrN2O
- Molecular weight
- 265.11
Names & synonyms
99851-80-6N-(5-bromo-8-quinolinyl)acetamideDTXSID50353790RefChem:362334DTXCID00304853N-(5-bromoquinolin-8-yl)acetamideN-(5-bromo-8-quinolyl)acetamideMFCD00449411acetamide, N-(5-bromo-8-quinolinyl)-Oprea1_516174Oprea1_866014SCHEMBL23360233
Show more names
CHEMBRDG-BB 5851236N-(5-bromoquinolin-8-yl)ethanamideN-(5-bromo-8-quinolinyl)acetamide(SALTDATA: FREE)
SCHEMBL29862447ALBB-010377BBL001763SBB050342STK036839AKOS000513655SB70097SY265412
Database identifiers
- CAS
99851-80-6- PubChem CID
- 753288
- DTXSID
DTXSID50353790- Nikkaji
- J3.663.303D
Properties
Computed structural propertiesFilling in
- 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
Physicochemical properties
- Melting point
- 137 °C · 137 °C
- Boiling point
- 470.8 · 470.8±30.0 °C(Predicted)
- Density
- 1.596 · 1.596±0.06 g/cm3(Predicted)
- pka
- 12.92 · 12.92±0.43(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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