基本情報
- CAS
55954-19-3- 標準SMILES
CC1(C)CC(NC(=O)N2CCCCCC2=O)CC(C)(CNC(=O)N2CCCCCC2=O)C1- InChIKey
OUXZKCYUOAUYIV-UHFFFAOYSA-N- 分子式
- C24H40N4O4
- 平均分子量
- 448.6 g/mol
- 単同位体質量
- 448.30495577
名称と識別子
- 優先名称
- 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
- 現地名
- N-[3-[[[[(ヘキサヒドロ-2-オキソ-1H-アゼピン)-1-イル]カルボニル]アミノ]メチル]-3,5,5-トリメチルシクロヘキシル]ヘキサヒドロ-2-オキソ-1H-アゼピン-1-カルボアミド
- 英語名
- hexahydro-N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-2-oxo-1H-azepine-1-carboxamide
- 分子式
- C24H40N4O4
- 分子量
- 448.6
名称と別名
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-CARBOXAMIDEHexahydro-N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-2-oxo-1H-azepine-1-carboxamide
物性
構造計算による物性
- XLogP
- 3.3
- 極性表面積
- 98.8 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 3
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 738
実験および物理化学的性質
Physical DescriptionLiquid; Other Solid
物理化学的性質
- 比重(密度)
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 12.75 · 12.75±0.60(Predicted)
- EPAの化学物質情報
- Isophorone diisocyanate caprolactam adduct (1:2) (55954-19-3)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
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
サプライヤー1 社
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…