2-[6-[bis(azanyl)methylideneamino]hexyl]guanidine; 1-isocyanatododecane

Systemtic Name: 2-[6-[bis(azanyl)methylideneamino]hexyl]guanidine; 1-isocyanatododecane Openeye Name: 2-(6-guanidinohexyl)guanidine; 1-isocyanatododecane CAS Name: 2-[6-(diaminomethylideneamino)hexyl]guanidine; 1-isocyanatododecane IUPAC Name: 2-[6-(diaminomethylideneamino)hexyl]guanidine; 1-isocyanatododecane Traditional Name: 2-(6-guanidinohexyl)guanidine; 1-isocyanatododecane Formula: C21H45N7O MolecularWeight: 411.6283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN=C=O.C(CCCN=C(N)N)CCN=C(N)N

Isomeric SMILES

CCCCCCCCCCCCN=C=O.C(CCCN=C(N)N)CCN=C(N)N

InChI

InChI=1S/C13H25NO.C8H20N6/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15;9-7(10)13-5-3-1-2-4-6-14-8(11)12/h2-12H2,1H3;1-6H2,(H4,9,10,13)(H4,11,12,14)