1H-Azepine-1-carboxamide, N,N'-(methylenedi-4,1-phenylene)bis[hexahydro-2-oxo-
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Basic information
- CAS
54112-23-1- Standard SMILES
O=C1CCCCCN1C(=O)Nc1ccc(Cc2ccc(NC(=O)N3CCCCCC3=O)cc2)cc1- InChIKey
CFDIRYSIEKJPRZ-UHFFFAOYSA-N- Molecular formula
- C27H32N4O4
- Average molar mass
- 476.6 g/mol
- Monoisotopic mass
- 476.24235551
Names & identifiers
- Preferred name
- 1H-Azepine-1-carboxamide, N,N'-(methylenedi-4,1-phenylene)bis[hexahydro-2-oxo-
- IUPAC
- 2-oxo-N-[4-[[4-[(2-oxoazepane-1-carbonyl)amino]phenyl]methyl]phenyl]azepane-1-carboxamide
- English name
- N,N'-(methylenedi-p-phenylene)bis[hexahydro-2-oxo-1H-azepine-1-carboxamide]
- Molecular formula
- C27H32N4O4
- Molecular weight
- 476.56738
Names & synonyms
1H-Azepine-1-carboxamide, N,N'-(methylenedi-4,1-phenylene)bis[hexahydro-2-oxo-EINECS 258-981-8N,N'-(Methylenedi-p-phenylene)bis[hexahydro-2-oxo-1H-azepine-1-carboxamide]DTXSID3068910EC 258-981-81H-Azepine-1-carboxamide, N,N'-(methylenedi-4,1-phenylene)bis(hexahydro-2-oxo-N,N'-(Methylenedi-p-phenylene)bis(hexahydro-2-oxo-1H-azepine-1-carboxamide)RefChem:438011DTXCID4041604258-981-854112-23-12-oxo-N-[4-[[4-[(2-oxoazepane-1-carbonyl)amino]phenyl]methyl]phenyl]azepane-1-carboxamide
Show more names
KagebondDM100*N,N'-(Methylendi-p-phenylen)bis[hexahydro-2-oxo-1H-azepin-1-carboxamid]N,N'-[Methylenebis(4,1-phenylene)]bis(2-oxo-1-azacycloheptane-1-carboxamide)N,N'-(Methylenedi-4,1-phenylene)bis[hexahydro-2-oxo-1H-azepine-1-carboxamide]N,N'-[Methylenebis(4,1-phenylene)]bis(2-oxohexahydro-1H-azepine-1-carboxamide)
N,N'-(methylenebis(4,1-phenylene))bis(2-oxoazepane-1-carboxamide)SCHEMBL13409482CFDIRYSIEKJPRZ-UHFFFAOYSA-NDB-320571NS00009932N,N'-[Methylenedi(4,1-phenylene)]bis(2-oxoazepane-1-carboxamide)2-oxo-N-[4-(4-{[(2-oxo-1-azepanyl)carbonyl]amino}benzyl)phenyl]-1-azepanecarboxamide
Database identifiers
- CAS
54112-23-1- PubChem CID
- 104694
- DTXSID
DTXSID3068910- EC Number
- 258-981-8
- Nikkaji
- J279.584A
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 694
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Density
- 1.3 · 1.3[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- Water Solubility
- 8.22 μg/L · 8.22μg/L at 20℃
- LogP
- 5 at · 5 at 30℃
- EPA Substance Registry System
- 1 H-Azepine-1-carboxamide, · 1H-Azepine-1-carboxamide, N,N'-(methylenedi-4,1-phenylene)bis[hexahydro-2-oxo- (54112-23-1)
- 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
This chemical does not meet GHS hazard criteria for 100% (162 of 162) of all reports.
Not Classified
Aggregated GHS information provided per 162 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
1H-Azepine-1-carboxamide, N,N'-(methylenedi-4,1-phenylene)bis[hexahydro-2-oxo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Azepine-1-carboxamide, N,N'-(methylenedi-4,1-phenylene)bis[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'-(methylenedi-p-phenylene)bis[hexahydro-2-oxo-1H-azepine-1-carboxamide] (EC: 258-981-8)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Consumer UsesAdhesion/cohesion promoter
Industry UsesAdhesion/cohesion promoter
General Manufacturing Information
Rubber Product Manufacturing
1H-Azepine-1-carboxamide, N,N'-(methylenedi-4,1-phenylene)bis[hexahydro-2-oxo-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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