N-Nicotinoyl-gamma-aminobutyric acid hydrobromide

4-(pyridin-1-ium-3-carbonylamino)butanoic acid bromide

CAS: 113694-81-8

Molecular Formula	`C10H13BrN2O3`
Molecular Weight	289.13 g/mol
Topological Polar Surface Area	80.5 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	288.01096
Heavy Atoms	16
Complexity	231.0

Chemical Identifiers

CAS Number	113694-81-8
SMILES	`C1=CC(=C[NH+]=C1)C(=O)NCCCC(=O)O.[Br-]`
InChIKey	`PCZFLSUKNWGGEC-UHFFFAOYSA-N`

📖 Product Overview

N-Nicotinoyl-gamma-aminobutyric acid hydrobromide (CAS: 113694-81-8) is a chemical compound with molecular formula C10H13BrN2O3 and molecular weight 289.13 g/mol. Its IUPAC systematic name is 4-(pyridin-1-ium-3-carbonylamino)butanoic acid bromide. Topological Polar Surface Area 80.5 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 288.01096 Heavy Atoms 16 Complexity 231.0 InChI Key: PCZFLSUKNWGGEC-UHFFFAOYSA-N. SMILES: C1=CC(=C[NH+]=C1)C(=O)NCCCC(=O)O.[Br-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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