Chemical Properties of Psilocybine (CAS 520-52-5)

InChI

InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)

InChI Key

QVDSEJDULKLHCG-UHFFFAOYSA-N

Formula

C12H17N2O4P

SMILES

CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12

Molecular Weight¹

284.25

CAS

520-52-5

Other Names

• Psilocybin
• 1H-Indol-4-ol, 3-[2-(dimethylamino)ethyl]-, dihydrogen phosphate (ester)
• Indol-4-ol, 3-[2-(dimethylamino)ethyl]-, dihydrogen phosphate (ester)
• Cy 39
• Indocybin
• 3-[2-(Dimethylamino)ethyl]indol-4-ol dihydrogen phosphate ester
• 3-[2-(Dimethylamino)ethyl]indol-4-yl dihydrogen phosphate
• 1H-Indol-4-ol, 3-[2-(dimethylamino)ethyl]-, dihydrogen phosphate
• Indol-4-ol, 3-(2-(dimethylamino)ethyl)-, dihydrogen phosphate
• 3-(2-(Dimethylamino)ethyl)-1H-indol-4-ol dihydrogen phosphate ester
• 3-2'-Dimethylaminoethylindol-4-phosphate
• O-Phosphoryl-4-hydroxy-N,N-dimethyltryptamine
• 4-Phosphoryloxy-N,N-dimethyltryptamine
• Psilocibin
• Psilocin phosphate ester
• Psilotsibin
• Teonanacatl
• Psylocybin

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Psilocybine.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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