butan-1-ol; 6-chloranyl-N4-hexyl-hexane-1,2,4-triamine

Systemtic Name: butan-1-ol; 6-chloranyl-N4-hexyl-hexane-1,2,4-triamine Openeye Name: butan-1-ol; 6-chloro-N4-hexyl-hexane-1,2,4-triamine CAS Name: 1-butanol; 6-chloro-N4-hexylhexane-1,2,4-triamine IUPAC Name: butan-1-ol; 6-chloro-4-N-hexylhexane-1,2,4-triamine Traditional Name: butan-1-ol; [3,4-diamino-1-(2-chloroethyl)butyl]-hexyl-amine Formula: C16H38ClN3O MolecularWeight: 323.94542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(CCCl)CC(CN)N.CCCCO

Isomeric SMILES

CCCCCCNC(CCCl)CC(CN)N.CCCCO

InChI

InChI=1S/C12H28ClN3.C4H10O/c1-2-3-4-5-8-16-12(6-7-13)9-11(15)10-14;1-2-3-4-5/h11-12,16H,2-10,14-15H2,1H3;5H,2-4H2,1H3