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4-Phenoxybenzylamine

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Category Hepatitis C Virus (HCV)
CAS 107622-80-0
Description 4-Phenoxybenzylamine inhibits the function of HCV NS3 protein by stabilizing the inactive conformation with an IC50 of about 500 μM against FL NS3/4a.
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Product Information

Synonyms (4-phenoxyphenyl)methylamine; Benzenemethanamine, 4-phenoxy-; 1-(4-phenoxyphenyl)methanamine; 4-phenoxybenzenemethanamine
IUPAC Name (4-phenoxyphenyl)methanamine
Molecular Weight 199.25
Molecular Formula C13H13NO
Canonical SMILES C1=CC=C(C=C1)OC2=CC=C(C=C2)CN
InChI InChI=1S/C13H13NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2
InChIKey CCAZAGUSBMVSAR-UHFFFAOYSA-N
Boiling Point 319.6±25.0°C at 760 mmHg
Flash Point 149.5±16.4 °C
Purity ≥98%
Density 1.12±0.1 g/cm3
Solubility Soluble in DMSO
Appearance Solid
Storage Store at 2-8°C, protect from light
Complexity 169
Exact Mass 199.099714038
Index Of Refraction 1.595
PSA 35.25000
Target HCV
Vapor Pressure 0.0±0.7 mmHg at 25°C
XLogP3-AA 2.3

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