2H-Azepin-2-one, 1,1'-(1,3-phenylenedicarbonyl)bis[hexahydro-

Base Information

• Chemical Name: 2H-Azepin-2-one, 1,1'-(1,3-phenylenedicarbonyl)bis[hexahydro-
• CAS No.: 7381-13-7
• Deprecated CAS: 118497-73-7
• Molecular Formula: C20H24N2O4
• Molecular Weight: 356.422
• Hs Code.: 2933790090
• European Community (EC) Number: 616-020-3
• DSSTox Substance ID: DTXSID60864049
• Nikkaji Number: J421.857D
• Wikidata: Q72485506
• ChEMBL ID: CHEMBL1875228
• Mol file: 7381-13-7.mol

Synonyms:7381-13-7;1,1'-Isophthaloylbis(azepan-2-one);2H-Azepin-2-one, 1,1'-(1,3-phenylenedicarbonyl)bis[hexahydro-;1-[3-(2-oxoazepane-1-carbonyl)benzoyl]azepan-2-one;1,1'-Isophthaloylbiscaprolactam;EC 616-020-3;1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one;2H-Azepin-2-one, 1,1'-(1,3-phenylenedicarbonyl)bis(hexahydro-;1,1-Isophthaloylbiscaprolactam;1,1'-(benzene-1,3-diyldicarbonyl)diazepan-2-one;MLS000072298;Oprea1_641357;Oprea1_813582;SCHEMBL1824654;CHEMBL1875228;DTXSID60864049;HMS2186I08;1,1-Isophthaloylbis(azepan-2-one);MFCD00367984;STK535133;AKOS005466499;AS-62018;SMR000008884;CS-0155359;FT-0688181;D81949;A866020;SR-01000361531;J-802230;SR-01000361531-1;1,1'-(1,3-Phenylenedicarbonyl)bis[hexahydro-2H-azepin-2-one];N,N'-Isophthaloyldicaprolactam;1,1'-Isophthaloylbis[hexahydro-2H-azepin-2-one]

Chemical Property of 2H-Azepin-2-one, 1,1'-(1,3-phenylenedicarbonyl)bis[hexahydro-

Chemical Property:

• Boiling Point: 593.5 °C at 760 mmHg
• PKA: -2.61±0.20(Predicted)
• Flash Point: 276.7 °C
• PSA: 74.76000
• Density: 1.237 g/cm³
• LogP: 2.64800
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 356.17360725
• Heavy Atom Count: 26
• Complexity: 526

Purity/Quality:

99.9% ^*data from raw suppliers

1,1'-Isophthaloylbis(azepan-2-one) 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)N(CC1)C(=O)C2=CC(=CC=C2)C(=O)N3CCCCCC3=O