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Key Documents

8.20122

Sigma-Aldrich

Benzamidine hydrochloride hydrate

for synthesis

Synonym(s):

Benzamidine hydrochloride hydrate

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About This Item

Empirical Formula (Hill Notation):
C7H8N2 · xHCl · yH2O
CAS Number:
Molecular Weight:
120.15 (anhydrous free base basis)
MDL number:
UNSPSC Code:
12352107
EC Index Number:
216-795-4
NACRES:
NA.22

Quality Level

Assay

≥98.5% (HPLC)

form

powder

pH

5 (20 °C, 50 g/L in H2O)

mp

80-84 °C

storage temp.

2-30°C

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

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).

Analysis Note

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

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Certificates of Analysis (COA)

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