CAS
94135-75-8 Purity
96%
94135-75-8 Purity
96%
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The molecular formula is C22H44N2O3.
The molecular weight is 384.6 g/mol.
The synonyms are EINECS 302-950-4 and 94135-80-5.
The IUPAC name is acetic acid;(E)-N-(2-aminoethyl)octadec-9-enamide.
The InChIKey is FXPKGZFJOFHPDA-RRABGKBLSA-N.
The Canonical SMILES is CCCCCCCCC=CCCCCCCCC(=O)NCCN.CC(=O)O.
The CAS number is 94135-80-5.
There are 3 hydrogen bond donor counts.
The topological polar surface area is 92.4 Ų.
Yes, the compound is canonicalized.