Caprolactam Cyclic Hexamer

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CAS Number

865-14-5

Synonyms

1,8,15,22,29,36-Hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone

Molecular Formula

C36H66N6O6

Molecular Weight

678.96

API Name

Caprolactam

Chemical Information

1,8,15,22,29,36-Hexaazacyclodotetracontane-2,9,16,23,30,37-hexone

CAS Number	865-14-5
PubChem CID	86071640
IUPAC Name	1,8,15,22,29,36-hexazacyclodotetracontane-2,9,16,23,30,37-hexone
Molecular Formula	C36H66N6O6
Molecular Weight	678.9
XLogP	1.9
Topological Polar Surface Area	175
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	48
Formal Charge	0
Complexity	729

SMILES

C1CCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCC1

InChI

InChI=1S/C36H66N6O6/c43-31-19-7-1-13-25-37-32(44)20-8-2-15-27-39-34(46)22-10-4-17-29-41-36(48)24-12-6-18-30-42-35(47)23-11-5-16-28-40-33(45)21-9-3-14-26-38-31/h1-30H2,(H,37,44)(H,38,43)(H,39,46)(H,40,45)(H,41,48)(H,42,47)

InChIKey

VIBRWXMFTOKNOM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 865-14-5

CID: 86071640

Formula: C36H66N6O6

MW: 678.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	678.9
XLogP3	1.9
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	678.50438385
Monoisotopic Mass	678.50438385
Topological Polar Surface Area	175 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	729
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
GTR19242863-01	Caprolactam cyclic dimer
GTR19242864-01	Caprolactam cyclic trimer
RG-P022672-01	Caprolactam Cyclic Tetramer
449778-01	Ethylene Terephthalate Cyclic Hexamer
EBA64429-01	Ethylene terephthalate cyclic hexamer-d24
591894	Caprolactam
469861-01	ε-Caprolactam
sc-356201	ε-Caprolactam
TRC-C175665-250G	epsilon-Caprolactam
FE31683	Epsilon caprolactam

Caprolactam Cyclic Hexamer

Chemical Information

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