91994-92-2 Purity
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The PubChem CID for 3-Tolyl diethanolamine is 7073.
The molecular formula of 3-Tolyl diethanolamine is C11H17NO2.
The molecular weight of 3-Tolyl diethanolamine is 195.26 g/mol.
The IUPAC name of 3-Tolyl diethanolamine is 2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol.
The InChI of 3-Tolyl diethanolamine is InChI=1S/C11H17NO2/c1-10-3-2-4-11(9-10)12(5-7-13)6-8-14/h2-4,9,13-14H,5-8H2,1H3.
The InChIKey of 3-Tolyl diethanolamine is VMNDRLYLEVCGAG-UHFFFAOYSA-N.
The canonical SMILES representation of 3-Tolyl diethanolamine is CC1=CC(=CC=C1)N(CCO)CCO.
The CAS number of 3-Tolyl diethanolamine is 91-99-6.
The XLogP3 value of 3-Tolyl diethanolamine is 1.4.
The hydrogen bond donor count of 3-Tolyl diethanolamine is 2.