2-(aminomethyl)-4-[(dihexadecylamino)methyl]benzene-1,3-diamine dihydrochloride

Systemtic Name: 2-(aminomethyl)-4-[(dihexadecylamino)methyl]benzene-1,3-diamine dihydrochloride Openeye Name: 2-(aminomethyl)-4-[(dihexadecylamino)methyl]benzene-1,3-diamine dihydrochloride CAS Name: 2-(aminomethyl)-4-[(dihexadecylamino)methyl]benzene-1,3-diamine dihydrochloride IUPAC Name: 2-(aminomethyl)-4-[(dihexadecylamino)methyl]benzene-1,3-diamine dihydrochloride Traditional Name: dicetyl-[2,4-diamino-3-(aminomethyl)benzyl]amine dihydrochloride Formula: C40H80Cl2N4 MolecularWeight: 687.996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CC1=C(C(=C(C=C1)N)CN)N.Cl.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CC1=C(C(=C(C=C1)N)CN)N.Cl.Cl

InChI

InChI=1S/C40H78N4.2ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-44(36-37-31-32-39(42)38(35-41)40(37)43)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h31-32H,3-30,33-36,41-43H2,1-2H3;2*1H