CAS
915924-18-4 Purity
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915924-18-4 Purity
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Specification
The molecular formula is C12H19NO.
The molecular weight is 193.28 g/mol.
The IUPAC name is N-ethyl-2-(4-ethylphenoxy)ethanamine.
The InChI is InChI=1S/C12H19NO/c1-3-11-5-7-12(8-6-11)14-10-9-13-4-2/h5-8,13H,3-4,9-10H2,1-2H3.
The InChIKey is FAMKANSHJXNUGR-UHFFFAOYSA-N.
The Canonical SMILES is CCC1=CC=C(C=C1)OCCNCC.
The CAS number is 915924-21-9.
The XLogP3-AA value is 2.6.
There is one hydrogen bond donor count.
Yes, the compound is canonicalized.