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Caprolactam cyclic trimer

CAT: 0013-GTR19242864-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242864-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Caprolactam cyclic trimer is a research chemical utilized in life science studies. It serves as a reference standard and model compound in polymer and materials science research, applicable in both in vitro analytical and environmental monitoring experiments.
CAS Number
56403-08-8
Smiles
O=C1NCCCCCC (=O) NCCCCCC (=O) NCCCCC1
Molecular Formula
C18H33N3O3
Molecular Weight
339.50
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,8,15-Triazacyclodocosane-2,9,16-trione

See also: Cyclic Caprolactam trimer (annotation moved to).

CAS Number56403-08-8
PubChem CID9949800
IUPAC Name1,8,15-triazacyclohenicosane-2,9,16-trione
Molecular FormulaC18H33N3O3
Molecular Weight339.5
XLogP1
Topological Polar Surface Area87.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity329
SMILES
C1CCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCC1
InChI
InChI=1S/C18H33N3O3/c22-16-10-4-1-7-13-19-17(23)11-5-2-9-15-21-18(24)12-6-3-8-14-20-16/h1-15H2,(H,19,23)(H,20,22)(H,21,24)
InChIKey
HJBDVFFKADBHHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,8,15-Triazacyclodocosane-2,9,16-trione
CAS: 56403-08-8
CID: 9949800
Formula: C18H33N3O3
MW: 339.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.5
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass339.25219192
Monoisotopic Mass339.25219192
Topological Polar Surface Area87.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity329
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

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