N-[[3-(aminomethyl)phenyl]methyl]-N-octadecyl-octadecan-1-amine

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-N-octadecyl-octadecan-1-amine Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-N-octadecyl-octadecan-1-amine CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-N-octadecyl-1-octadecanamine IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-N-octadecyloctadecan-1-amine Traditional Name: [3-(aminomethyl)benzyl]-distearyl-amine Formula: C44H84N2 MolecularWeight: 641.15116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CC1=CC=CC(=C1)CN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CC1=CC=CC(=C1)CN

InChI

InChI=1S/C44H84N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-46(42-44-37-35-36-43(40-44)41-45)39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-37,40H,3-34,38-39,41-42,45H2,1-2H3