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Chemical structure of Allylescaline (hydrochloride)

GC18379

Allylescaline (hydrochloride)

Also known as 2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)ethanamine;hydrochloride

Allylescaline is a derivative of the phenethylamine escaline in which an allyl group replaces the ethyl group

ChemicalCAS39201-76-8MW273.8FormulaC13H19NO3·HCl
CAS number
39201-76-8
Molecular weight
273.8
Formula
C13H19NO3·HCl
Solubility
3mg/mL in DMSO, 0·5mg/mL in DMF, 10 mg/ml in Ethanol
InChIKey
JSXGQXQKZDAMEQ-UHFFFAOYSA-N
Catalogue number
GC18379
Brand
GLPBIO
Computed properties PubChem CID 71669102 · TPSA 53.7 Ų · H-bond donors 2 · H-bond acceptors 4
TPSA
53.7 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
18

SMILES COC1=CC(=CC(=C1OCC=C)OC)CCN.Cl

Computed descriptors from PubChem (CID 71669102), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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