Basic information
- CAS
2669-15-0- Standard SMILES
O=C1CCCCCN1C(=O)c1ccc(C(=O)N2CCCCCC2=O)cc1- InChIKey
IOGGBUVFUGPCLQ-UHFFFAOYSA-N- Molecular formula
- C20H24N2O4
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.17360725
Names & identifiers
- Preferred name
- 2H-Azepin-2-one, 1,1'-(1,4-phenylenedicarbonyl)bis(hexahydro-
- IUPAC
- 1-[4-(2-oxoazepane-1-carbonyl)benzoyl]azepan-2-one
- English name
- 1,1'-(p-phenylenedicarbonyl)bis[hexahydro-2H-azepin-2-one]
- Molecular formula
- C20H24N2O4
- Molecular weight
- 356.42
Names & synonyms
2H-Azepin-2-one, 1,1'-(1,4-phenylenedicarbonyl)bis[hexahydro-EINECS 220-209-2DTXSID20625831,1'-(1,4-Phenylenedicarbonyl)bis(hexahydro-2H-azepin-2-one)2H-Azepin-2-one, 1,1'-(1,4-phenylenedicarbonyl)bis(hexahydro-1,1'-(1,4-Phenylenedicarbonyl)bis[hexahydro-2H-azepin-2-one]RefChem:484212DTXCID80375462669-15-01-[4-(2-oxoazepane-1-carbonyl)benzoyl]azepan-2-oneterephthaloylbiscaprolactamK6AVS4FLC3
Show more names
1,1'-(1,4-Phenylenebiscarbonyl)bis(azacycloheptane-2-one)1,1'-(p-phenylenedicarbonyl)bis[hexahydro-2H-azepin-2-one]1,1'-(1,4-Phenylenedicarbonyl)bis(hexahydro-1H-azepin-2-one)1,1'-(1,4-Phenylenedicarbonyl)bis(1,3,4,5,6,7-hexahydro-2H-azepin-2-one)
Oprea1_361300Oprea1_745271MLS000028230SCHEMBL1823712CHEMBL1894789N,N '-TerephthaloylbiscaprolactamHMS2289G07STK838850
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Melting point
- 191 · 191-193 °C(Solv: ethanol (64-17-5))
- Boiling point
- 591.2 · 591.2±46.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- pka
- -2.41 · -2.41±0.20(Predicted)
- EPA Substance Registry System
- 2 H-Azepin-2-one, · 2H-Azepin-2-one, 1,1'-(1,4-phenylenedicarbonyl)bis[hexahydro- (2669-15-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-Azepin-2-one, 1,1'-(1,4-phenylenedicarbonyl)bis[hexahydro-: INACTIVE
Suppliers2 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
Related reactions
1 records
Compound notes
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