Synonyms
1,4,7,10,13,16-Hexaazacyclooctadecane Hexa hydrochloride; DTXSID70507632; ANW-32876; TR-020225; Hexacyclen Hexahydrochloride; I14-91566; CTK8B1954;
IUPAC Name
1,4,7,10,13,16-hexazacyclooctadecane;hexahydrochloride;
Molecular Weight
477.162g/mol
Molecular Formula
C12H36Cl6N6;
Canonical SMILES
C1CNCCNCCNCCNCCNCCN1.Cl.Cl.Cl.Cl.Cl.Cl;
InChI
InChI=1S/C12H30N6.6ClH/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;;;;;;/h13-18H,1-12H2;6*1H;
InChI Key
GYXOJYBVPYIMAW-UHFFFAOYSA-N;
Complexity
108
Covalently-Bonded Unit Count
7
Exact Mass
476.11g/mol
H-Bond Acceptor
6
H-Bond Donor
12
Heavy Atom Count
24
Monoisotopic Mass
474.113g/mol
Topological Polar Surface Area
72.2A^2
