8.20122

Benzamidine hydrochloride hydrate

for synthesis

• Sinonimo/i: Benzamidine hydrochloride hydrate
• Formula empirica (notazione di Hill): C₇H₈N₂ · xHCl · yH₂O
• Numero CAS: 206752-36-5
• Peso molecolare: 120.15 (anhydrous free base basis)
• Numero MDL: MFCD00066285
• Codice UNSPSC: 12352107
• Numero indice EU: 216-795-4
• NACRES: NA.22

Proprietà

• Livello qualitativo: 200
• Saggio: ≥98.5% (HPLC)
• Stato: powder
• pH: 5 (20 °C, 50 g/L in H₂O)
• Punto di fusione: 80-84 °C
• Temperatura di conservazione: 2-30°C
• Stringa SMILE: [N+H3]\C(=N\[H])\c1ccccc1
• InChI: 1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1; PXXJHWLDUBFPOL-UHFFFAOYSA-O

Descrizione

Applicazioni

• Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.: This study investigates the interaction of benzamidine hydrochloride hydrate as a serine protease inhibitor, focusing on its binding mechanism in the presence of water molecules. Utilizing neutron crystallography, the research provides insights into the dynamic role of water in enhancing the binding affinity and stability of the inhibitor to trypsin. This understanding is crucial for the design of more effective protease inhibitors in pharmaceutical applications (Schiebel et al., 2018).

Risultati analitici

Assay (HPLC, area%): ≥ 98.5 % (a/a)
Water (K. F.): 7.0 - 13.0 %
Identity (IR): passes test

Informazioni sulla sicurezza

• Codice della classe di stoccaggio: 11 - Combustible Solids
• Classe di pericolosità dell'acqua (WGK): WGK 3
• Punto d’infiammabilità (°F): Not applicable
• Punto d’infiammabilità (°C): Not applicable