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Hexacyclen hexahydrochloride

CAT: 0931-TYD-01503-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-01503-01Size:100 mg
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CAS Number
58105-91-2
Bioactivity
Hexacyclen (Cycloalkene) is an organic compound characterized by a distinctive macrocyclic structure composed of six nitrogen-containing rings. Known for its metal ion-binding capability, Hexacyclen is frequently employed as a chelating agent in chemistry and biochemistry for selectively binding metal ions in proteins or enzymes to study their structure and function. Additionally, Hexacyclen can serve as a cancer inhibitor.
Smiles
Cl.N1CCNCCNCCNCCNCCNCC1.Cl.Cl.Cl.Cl.Cl
Molecular Formula
C12H36Cl6N6
Molecular Weight
477.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,4,7,10,13,16-Hexaazacyclooctadecane Hexahydrochloride
CAS Number58105-91-2
PubChem CID12710210
IUPAC Name1,4,7,10,13,16-hexazacyclooctadecane;hexahydrochloride
Molecular FormulaC12H36Cl6N6
Molecular Weight477.2
Topological Polar Surface Area72.2
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity108
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
InChIKey
GYXOJYBVPYIMAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4,7,10,13,16-Hexaazacyclooctadecane Hexahydrochloride
CAS: 58105-91-2
CID: 12710210
Formula: C12H36Cl6N6
MW: 477.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.2
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass476.110311
Monoisotopic Mass474.113261
Topological Polar Surface Area72.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity108
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count7
Compound Is CanonicalizedYes

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