Basic information
- CAS
113694-81-8- Standard SMILES
O=C(O)CCCNC(=O)c1ccc[nH+]c1.[Br-]- InChIKey
PCZFLSUKNWGGEC-UHFFFAOYSA-N- Molecular formula
- C10H13BrN2O3
- Average molar mass
- 289.13 g/mol
- Monoisotopic mass
- 288.01095
Names & identifiers
- Preferred name
- Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide
- IUPAC
- 4-(pyridin-1-ium-3-carbonylamino)butanoic acid bromide
Names & synonyms
N-Nicotinoyl-gamma-aminobutyric acid hydrobromideButyric acid, 4-nicotinamido-, monohydrobromide113694-81-84-((3-Pyridinylcarbonyl)amino)butanoic acid hydrobromideBUTANOIC ACID, 4-((3-PYRIDINYLCARBONYL)AMINO)-, MONOHYDROBROMIDERefChem:3308353-[(3-carboxypropyl)carbamoyl]pyridinium bromide
Database identifiers
- CAS
113694-81-8- PubChem CID
- 60607
Properties
Computed structural properties
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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