Thanks. The
salt calculator you shared is interesting.
For DMT citrate it suggests that it contains 49% freebase n,n-DMT. But the calculator doesn't list a citrate hydrate option and my chemistry knowledge is lacking unfortunately so I don't have a good concept of if/how the yield might vary for the citrate hydrate form.
I'll proceed with caution on the assumption that citrate hydrate form is around 50% DMT by weight.
Calculating the mass ratio of DMT in any given salt, hydrated or otherwise, involves some pretty straightforward arithmetic and a basic grasp of molecular mass calculation. Any understanding of chemistry, while obviously desirable, is also somewhat incidental in this particular context.
For the purposes of illustration, I'll check the algorithmically-derived answers which you quoted, which at a glance appear to be well within the expected ballpark range.
First, we set out the molar (gram-molecular) mass of the 1:1 DMT citrate:
C₁₂H₁₆N₂=188.274 g·mol⁻¹
C₆H₈O₇=192.123 g·mol⁻¹
Combining in a 1:1 ratio gives the molar mass of the 1:1 citrate as the sum of these two values, =380.397 g·mol⁻¹
Dividing the molar mass of DMT by this resulting value gives the fraction of DMT in the compound:
188.274 ÷ 380.397 = 0.495, i.e. 49.5% or 494.941 mg/g
So far so good!
Adding a molecule of water adds mw~18 to the larger figure each time, increasing the divisor and thus decreasing the proportion of DMT accordingly:
380.397 + 18.015 = 398.412 for the monohydrate;
188.274 ÷ 398.412 = 0.472561 or
472.561 mg/g of DMT - looking good!
Hopefully you now get how the divisor is incremented for each additional molecule of water of hydration, and can check the remaining machine-provided figures should you so desire.
