1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)-

1,6-bis(2-oxoazepan-1-yl)hexane-1,6-dione

CAS: 3217-52-5

Molecular Formula	`C18H28N2O4`
Molecular Weight	336.4 g/mol
LogP	0.9
Topological Polar Surface Area	74.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	336.2049
Heavy Atoms	24
Complexity	445.0

Chemical Identifiers

CAS Number	3217-52-5
SMILES	`C1CCC(=O)N(CC1)C(=O)CCCCC(=O)N2CCCCCC2=O`
InChIKey	`PMKTZZPISUBWEM-UHFFFAOYSA-N`

📖 Product Overview

1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)- (CAS: 3217-52-5) is a chemical compound with molecular formula C18H28N2O4 and molecular weight 336.4 g/mol. Its IUPAC systematic name is 1,6-bis(2-oxoazepan-1-yl)hexane-1,6-dione. LogP 0.9 Topological Polar Surface Area 74.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 336.2049 Heavy Atoms 24 Complexity 445.0 InChI Key: PMKTZZPISUBWEM-UHFFFAOYSA-N. SMILES: C1CCC(=O)N(CC1)C(=O)CCCCC(=O)N2CCCCCC2=O.

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