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Specification
The molecular formula of the compound is C11H17NO2.
The synonyms of the compound are 60278-98-0, 3-(N-Benzyl-N-methylamino)-1,2-propanediol, 3-(Benzyl(methyl)amino)propane-1,2-diol, 3-[benzyl(methyl)amino]propane-1,2-diol.
The molecular weight of the compound is 195.26 g/mol.
The IUPAC name of the compound is 3-[benzyl(methyl)amino]propane-1,2-diol.
The InChI of the compound is InChI=1S/C11H17NO2/c1-12(8-11(14)9-13)7-10-5-3-2-4-6-10/h2-6,11,13-14H,7-9H2,1H3.
The InChIKey of the compound is HGPHYOVGIFFHJB-UHFFFAOYSA-N.
The canonical SMILES of the compound is CN(CC1=CC=CC=C1)CC(CO)O.
The CAS number of the compound is 60278-98-0.
The XLogP3-AA value of the compound is 0.5.
Yes, the compound is canonicalized.