93830-52-5 Purity
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Specification
The molecular formula is C22H43NO3.
The molecular weight is 369.6 g/mol.
The IUPAC name is (Z)-N,N-bis(2-hydroxyethyl)octadec-9-enamide.
The InChI is InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h9-10,24-25H,2-8,11-21H2,1H3/b10-9-.
The InChIKey is LPMBTLLQQJBUOO-KTKRTIGZSA-N.
The canonical SMILES is CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCO.
The isomeric SMILES is CCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)CCO.
The CAS number is 93-83-4.
The XLogP3-AA value is 5.8.
The hydrogen bond donor count is 2.