N-hexadecylhexadecan-1-amine; 3-methyl-N-prop-2-enyl-benzamide; dihydrochloride

Systemtic Name: N-hexadecylhexadecan-1-amine; 3-methyl-N-prop-2-enyl-benzamide; dihydrochloride Openeye Name: N-allyl-3-methyl-benzamide; N-hexadecylhexadecan-1-amine; dihydrochloride CAS Name: N-hexadecyl-1-hexadecanamine; 3-methyl-N-prop-2-enylbenzamide; dihydrochloride IUPAC Name: N-hexadecylhexadecan-1-amine; 3-methyl-N-prop-2-enylbenzamide; dihydrochloride Traditional Name: N-allyl-3-methyl-benzamide; dicetylamine; dihydrochloride Formula: C43H82Cl2N2O MolecularWeight: 714.02998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCC.CC1=CC=CC(=C1)C(=O)NCC=C.Cl.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCC.CC1=CC=CC(=C1)C(=O)NCC=C.Cl.Cl

InChI

InChI=1S/C32H67N.C11H13NO.2ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-7-12-11(13)10-6-4-5-9(2)8-10;;/h33H,3-32H2,1-2H3;3-6,8H,1,7H2,2H3,(H,12,13);2*1H