N1,N4-bis(3-azanylpropyl)cyclohexane-1,4-diamine; methanesulfonic acid; hydrate

Systemtic Name: N1,N4-bis(3-azanylpropyl)cyclohexane-1,4-diamine; methanesulfonic acid; hydrate Openeye Name: N1,N4-bis(3-aminopropyl)cyclohexane-1,4-diamine; methanesulfonic acid; hydrate CAS Name: N1,N4-bis(3-aminopropyl)cyclohexane-1,4-diamine; methanesulfonic acid; hydrate IUPAC Name: 1-N,4-N-bis(3-aminopropyl)cyclohexane-1,4-diamine; methanesulfonic acid; hydrate Traditional Name: 3-aminopropyl-[4-(3-aminopropylamino)cyclohexyl]amine; mesylic acid; hydrate Formula: C16H46N4O13S4 MolecularWeight: 630.81544

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.C1CC(CCC1NCCCN)NCCCN.O

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.C1CC(CCC1NCCCN)NCCCN.O

InChI

InChI=1S/C12H28N4.4CH4O3S.H2O/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14;4*1-5(2,3)4;/h11-12,15-16H,1-10,13-14H2;4*1H3,(H,2,3,4);1H2