Basic information
- CAS
5888-87-9- Standard SMILES
O=C1CCCCCN1C(=O)NCCCCCCNC(=O)N1CCCCCC1=O- InChIKey
YOVRNJUIHVNXCB-UHFFFAOYSA-N- Molecular formula
- C20H34N4O4
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.25800558
Names & identifiers
- Preferred name
- 1H-Azepine-1-carboxamide, N,N'-1,6-hexanediylbis(hexahydro-2-oxo-
- IUPAC
- 2-oxo-N-[6-[(2-oxoazepane-1-carbonyl)amino]hexyl]azepane-1-carboxamide
- English name
- N,N'-hexane-1,6-diylbis(hexahydro-2-oxo-1H-azepine-1-carboxamide)
- Molecular formula
- C20H34N4O4
- Molecular weight
- 394.51
Names & synonyms
N,N'-Hexane-1,6-diylbis(hexahydro-2-oxo-1H-azepine-1-carboxamide)EINECS 227-563-71H-Azepine-1-carboxamide, N,N'-1,6-hexanediylbis[hexahydro-2-oxo-DTXSID9064051EC 227-563-71H-Azepin-1-carboxamide, N,N'-1,6-hexanediylbis(hexahydro-2-oxo-1H-Azepine-1-carboxamide, N,N'-1,6-hexanediylbis(hexahydro-2-oxo-RefChem:438012DTXCID7042487227-563-75888-87-97BLC62KT66
Show more names
1,6-Hexamethylenebis-(carbamidocaprolactam)N,N'-Hexamethylenebis(2-oxo-1-azacycloheptane-1-carboxamide)N,N′-Hexan-1,6-diylbis(hexahydro-2-oxo-1H-azepin-1-carboxamid)N,N'-Hexamethylenebis(2-oxohexahydro-1H-azepine-1-carboxamide)N,N'-Hexamethylenebis(hexahydro-2-oxo-1H-azepine-1-carboxamide)1,1'-[Hexamethylenebis(iminocarbonyl)]bis(azacycloheptane-2-one)
SCHEMBL1374699YOVRNJUIHVNXCB-UHFFFAOYSA-NDB-326881NS00004659N,N'-(Hexane-1,6-diyl)bis(2-oxoazepane-1-carboxamide)N,N'-1,6-Hexanediylbis[hexahydro-2-oxo-1H-azepine-1-carboxamide]
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 504
Experimental & physicochemical properties
Physical DescriptionDry Powder
Physicochemical properties
- Density
- 1.206 · 1.206[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 20℃
- Water Solubility
- 48.94 mg/L · 48.94mg/L at 20℃
- LogP
- 2.702 at · 2.702 at 20℃
- EPA Substance Registry System
- 1 H-Azepine-1-carboxamide, · 1H-Azepine-1-carboxamide, N,N'-1,6-hexanediylbis[hexahydro-2-oxo- (5888-87-9)
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 144 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1H-Azepine-1-carboxamide, N,N'-1,6-hexanediylbis[hexahydro-2-oxo-
1H-Azepine-1-carboxamide, N,N'-1,6-hexanediylbis[hexahydro-2-oxo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Azepine-1-carboxamide, N,N'-1,6-hexanediylbis[hexahydro-2-oxo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: N,N'-hexane-1,6-diylbis(hexahydro-2-oxo-1H-azepine-1-carboxamide) (EC: 227-563-7)
Hazard Classes and CategoriesAquatic Chronic 3 (100%)
Safety data
- tsca
- TSCA listed
- Hazard statements
- H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesChemical reaction regulator
General Manufacturing Information
Plastics Material and Resin Manufacturing
1H-Azepine-1-carboxamide, N,N'-1,6-hexanediylbis[hexahydro-2-oxo-: ACTIVE
Suppliers1 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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