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8.20122

Benzamidine hydrochloride hydrate

for synthesis

Synonym(s):

Benzamidine hydrochloride hydrate

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Pack SizeSKUAvailabilityPrice
2 g
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$46.90
$35.17
25 g
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$146.00
1 kg
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$1,620.00

About This Item

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

$35.17

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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

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

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

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This Item
8.22194N1626B2417
assay

≥98.5% (HPLC)

assay

≥99.0% (acidimetric)

assay

-

assay

≥98% (HPLC)

Quality Level

200

Quality Level

200

Quality Level

200

Quality Level

100

form

powder

form

powder

form

crystalline

form

solid

storage temp.

2-30°C

storage temp.

2-30°C

storage temp.

-

storage temp.

2-8°C

mp

80-84 °C

mp

115 °C (decomposition)

mp

250 °C (dec.) (lit.)

mp

-

pH

5 (20 °C, 50 g/L in H2O)

pH

6.0 (20 °C, 10 g/L in H2O)

pH

-

pH

-


Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable



Certificates of Analysis (COA)

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Global Trade Item Number

SKUGTIN
820122000204027269276904
820122100004022536684307
820122002504022536452463
820122085004027269207984

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