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Hexacyclen

CAT: 0804-HY-W034566-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W034566-03Size:100 mg
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Description
Hexacyclen is an organic compound with a unique macrocyclic structure composed of six nitrogen-containing rings. It is commonly used as a chelating agent in chemistry and biochemistry due to its ability to bind metal ions. Inhibitors of certain diseases such as cancer. In biochemistry, Hexacyclen is often used to selectively bind metal ions in proteins or enzymes to study their structure and function. Due to its large size and complex structure, Hexacyclen is not widely used in daily products or applications[1].
CAS Number
296-35-5
Product Name Alternative
Hexaaza-18-crown-6; 1,4,7,10,13,16-Hexaazacyclooctadecane
UNSPSC
12352200
Hazard Statement
H315, H319
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Purity
98.0
Solubility
H2O : 100 mg/mL (ultrasonic)
Smiles
N1CCNCCNCCNCCNCCNCC1
Molecular Formula
C12H30N6
Molecular Weight
258.41
Precautions
H315, H319
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

1,4,7,10,13,16-Hexaazacyclooctadecane
CAS Number296-35-5
PubChem CID41779
IUPAC Name1,4,7,10,13,16-hexazacyclooctadecane
Molecular FormulaC12H30N6
Molecular Weight258.41
XLogP-3.2
Topological Polar Surface Area72.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity108
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
InChIKey
RVJABZUDCPZPPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4,7,10,13,16-Hexaazacyclooctadecane
CAS: 296-35-5
CID: 41779
Formula: C12H30N6
MW: 258.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.41
XLogP3-3.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass258.25319498
Monoisotopic Mass258.25319498
Topological Polar Surface Area72.2 Ų
Heavy Atom Count18
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
451823-01Hexacyclen
sc-295145Hexacyclen Hexahydrochloride
TYD-01499-01Hexacyclen trisulfate

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