94113-33-4 Purity
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The molecular formula is C20H43N3O3.
The molecular weight is 373.6 g/mol.
The IUPAC name is acetic acid; N-[2-(2-aminoethylamino)ethyl]tetradecanamide.
The InChI is InChI=1S/C18H39N3O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)21-17-16-20-15-14-19;1-2(3)4/h20H,2-17,19H2,1H3,(H,21,22);1H3,(H,3,4).
The InChIKey is CHXXMRQMCKXMMB-UHFFFAOYSA-N.
The canonical SMILES is CCCCCCCCCCCCCC(=O)NCCNCCN.CC(=O)O.
The CAS number is 94113-40-3.
It has 4 hydrogen bond donor counts.
The heavy atom count is 26.
Yes, the compound is canonicalized.
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