8.20122
Benzamidine hydrochloride hydrate
for synthesis
别名:
Benzamidine hydrochloride hydrate
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关于此项目
经验公式（希尔记法）:
C7H8N2 · xHCl · yH2O
化学文摘社编号:
分子量:
120.15 (anhydrous free base basis)
UNSPSC Code:
12352107
EC Index Number:
216-795-4
NACRES:
NA.22
MDL number:
产品名称
Benzamidine hydrochloride hydrate, for synthesis
SMILES string
[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
InChI key
PXXJHWLDUBFPOL-UHFFFAOYSA-O
assay
≥98.5% (HPLC)
form
powder
pH
5 (20 °C, 50 g/L in H2O)
mp
80-84 °C
storage temp.
2-30°C
Quality Level
Analysis Note
Assay (HPLC, area%): ≥ 98.5 % (a/a)
Water (K. F.): 7.0 - 13.0 %
Identity (IR): passes test
Water (K. F.): 7.0 - 13.0 %
Identity (IR): passes test
Application
- 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).
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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