Synonyms
AMOT0368; FT-0655479; IPS109; TR-012845; Hexacyclen; MCULE-4374893659; 296-35-5; AM85706; ACMC-1CS19; CTK1A4125;
IUPAC Name
1,4,7,10,13,16-hexazacyclooctadecane;
Molecular Weight
258.414g/mol
Molecular Formula
C12H30N6;
Canonical SMILES
C1CNCCNCCNCCNCCNCCN1;
InChI
InChI=1S/C12H30N6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h13-18H,1-12H2;
InChI Key
RVJABZUDCPZPPM-UHFFFAOYSA-N;
Complexity
108
Covalently-Bonded Unit Count
1
EC Number
206-042-8
Exact Mass
258.253g/mol
H-Bond Acceptor
6
H-Bond Donor
6
Heavy Atom Count
18
Monoisotopic Mass
258.253g/mol
Topological Polar Surface Area
72.2A^2
