646051-52-7 Usage
Description
C14H13F2NClH, also known as Bis(4-fluorobenzyl)amine Hydrochloride, is an organic compound with a molecular formula that indicates the presence of 14 carbon atoms, 13 hydrogen atoms, 2 fluorine atoms, and a nitrogen atom, along with a hydrochloride group. It is a reactant used in the synthesis of various pharmaceutical compounds.
Uses
Used in Pharmaceutical Industry:
C14H13F2NClH is used as a reactant for the preparation of non-classical nucleoside antiviral drugs based on N,N-diarylformamide. Its unique structure and properties make it a valuable component in the development of new antiviral medications, potentially contributing to the treatment and prevention of viral infections.
Check Digit Verification of cas no
The CAS Registry Mumber 646051-52-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,4,6,0,5 and 1 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 646051-52:
(8*6)+(7*4)+(6*6)+(5*0)+(4*5)+(3*1)+(2*5)+(1*2)=147
147 % 10 = 7
So 646051-52-7 is a valid CAS Registry Number.
646051-52-7Relevant articles and documents
Computationally forecasting the effect of dibenzylammonium substituents on pseudorotaxane formation with dibenzo[24]crown-8
Payne, Nicholas A.,Delmas, Luke C.,McDowell, Sean A.C.,Williams, Avril R.
, p. 5175 - 5179 (2015)
The ability to predict the relative stabilities of analogous pseudorotaxanes is essential for the synthetic chemist yet simplified computational forecasting approaches remain scarce. Consequently, ten [2]pseudorotaxanes have been assembled (from a series of para-substituted dibenzylammonium ions and dibenzo[24]crown-8) and their experimentally-determined stabilities correlated with two computational parameters closely related to complexation energy. The strongest relationship was obtained from density functional theory calculation of binding energy (R2 = 0.92) while determination of the maximum surface electrostatic potential on the dibenzylammonium ions (a proxy indicator of complex stability) afforded comparable results (R2 = 0.88) with great reduction in computational expense.
