Hexahydro-N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-2-oxo-1H-azepin-1-carboxamid
N-(3-(((((Hexahydro-2-oxo-1H-azepin)-1-yl)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)hexahydro-2-oxo-1H-azepine-1-carboxamide
Grundinformationen
- CAS
55954-19-3- Standard-SMILES
CC1(C)CC(NC(=O)N2CCCCCC2=O)CC(C)(CNC(=O)N2CCCCCC2=O)C1- InChIKey
OUXZKCYUOAUYIV-UHFFFAOYSA-N- Summenformel
- C24H40N4O4
- Durchschnittliche Molmasse
- 448,6 g/mol
- Monoisotopische Masse
- 448,30495577
Namen und Bezeichner
- Bevorzugter Name
- N-(3-(((((Hexahydro-2-oxo-1H-azepin)-1-yl)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)hexahydro-2-oxo-1H-azepine-1-carboxamide
- IUPAC
- 2-oxo-N-[[1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methyl]azepane-1-carboxamide
- Lokaler Name
- Hexahydro-N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-2-oxo-1H-azepin-1-carboxamid
- Englischer Name
- hexahydro-N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-2-oxo-1H-azepine-1-carboxamide
- Summenformel
- C24H40N4O4
- Molmasse
- 448.6
Namen und Synonyme
EINECS 259-920-81FJT8579PA1H-Azepine-1-carboxamide, N-(3-((((hexahydro-2-oxo-1H-azepin-1-yl)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)hexahydro-2-oxo-N-(3-(((((Hexahydro-2-oxo-1H-azepin)-1-yl)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)hexahydro-2-oxo-1H-azepine-1-carboxamideJ296.535F1-((1-Aza-2-oxocyclohept-1-yl)carbonylaminomethyl)-3-((1-aza-2-oxocyclohept-1-yl)carbonylamino)-1,5,5-trimethylcyclohexaneDTXSID7029376Hexahydro-N-(3-((((hexahydro-2-oxo-1H-azepin-1-yl)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)-2-oxo-1H-azepine-1-carboxamide1H-Azepine-1-carboxamide, N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]hexahydro-2-oxo-2-OXO-N-((1,3,3-TRIMETHYL-5-(((2-OXO-1-AZEPANYL)CARBONYL)AMINO)CYCLOHEXYL)METHYL)-1-AZEPANECARBOXAMIDE2-OXO-N-((1,3,3-TRIMETHYL-5-((2-OXOAZEPANE-1-CARBONYL)AMINO)CYCLOHEXYL)METHYL)AZEPANE-1-CARBOXAMIDE
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 98,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 738
Experimentelle und physikochemische Eigenschaften
Physical DescriptionLiquid; Other Solid
Physikochemische Eigenschaften
- Dichte
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 12.75 · 12.75±0.60(Predicted)
- EPA chemische Informationen
- Isophorone diisocyanate caprolactam adduct (1:2) (55954-19-3)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (25 of 25) of all reports.
Not Classified
Aggregated GHS information provided per 25 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 1H-Azepine-1-carboxamide, N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]hexahydro-2-oxo-
1H-Azepine-1-carboxamide, N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]hexahydro-2-oxo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Azepine-1-carboxamide, N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]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)
1H-Azepine-1-carboxamide, N-3-(hexahydro-2-oxo-1H-azepin-1-yl)carbonylaminomethyl-3,5,5-trimethylcyclohexylhexahydro-2-oxo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 1,242,615 lb
Industry UsesIntermediate
General Manufacturing Information
Paint and Coating Manufacturing
1H-Azepine-1-carboxamide, N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]hexahydro-2-oxo-: ACTIVE
Anbieter1 Anbieter
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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