N-[[2-(aminomethyl)phenyl]methyl]tetracontan-20-amine

Systemtic Name: N-[[2-(aminomethyl)phenyl]methyl]tetracontan-20-amine Openeye Name: N-[[2-(aminomethyl)phenyl]methyl]tetracontan-20-amine CAS Name: N-[[2-(aminomethyl)phenyl]methyl]-20-tetracontanamine IUPAC Name: N-[[2-(aminomethyl)phenyl]methyl]tetracontan-20-amine Traditional Name: [2-(aminomethyl)benzyl]-(1-nonadecylheneicosyl)amine Formula: C48H92N2 MolecularWeight: 697.25748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCC)NCC1=CC=CC=C1CN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCC)NCC1=CC=CC=C1CN

InChI

InChI=1S/C48H92N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43-48(50-45-47-41-39-38-40-46(47)44-49)42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-41,48,50H,3-37,42-45,49H2,1-2H3