951400-18-3 Purity
96%
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Specification
The molecular formula of 2,5-Dimethoxyphenethylamine-d6 is C10H15NO2.
The molecular weight of 2,5-Dimethoxyphenethylamine-d6 is 187.27 g/mol.
The IUPAC name of 2,5-Dimethoxyphenethylamine-d6 is N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine.
The InChI of 2,5-Dimethoxyphenethylamine-d6 is InChI=1S/C10H15NO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-4,7H,5-6,11H2,1-2H3/i5D2,6D2/hD2.
The InChIKey of 2,5-Dimethoxyphenethylamine-d6 is WNCUVUUEJZEATP-JGYJCWKTSA-N.
The canonical SMILES of 2,5-Dimethoxyphenethylamine-d6 is COC1=CC(=C(C=C1)OC)CCN.
The isomeric SMILES of 2,5-Dimethoxyphenethylamine-d6 is [2H]C([2H])(C1=C(C=CC(=C1)OC)OC)C([2H])([2H])N([2H])[2H].
The XLogP3 value of 2,5-Dimethoxyphenethylamine-d6 is 1.3.
The hydrogen bond donor count of 2,5-Dimethoxyphenethylamine-d6 is 1.
The hydrogen bond acceptor count of 2,5-Dimethoxyphenethylamine-d6 is 3.