N,N',N''-[(2,4,6-トリオキソ-1,3,5-トリアジン-1,3,5(2H,4H,6H)-トリイル)トリス[メチレン(3,5,5-トリメチル-3,1-シクロヘキサンジイル)]]トリス[ヘキサヒドロ-2-オキソ-1H-アゼピン-1-カルボアミド]
N,N',N''-((2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methylene(3,5,5-trimethylcyclohexane-3,1-diyl)))tris(hexahydro-2-oxo-1H-azepine-1-carboxamide)
基本情報
- CAS
68975-83-7- 標準SMILES
CC1(C)CC(NC(=O)N2CCCCCC2=O)CC(C)(Cn2c(=O)n(CC3(C)CC(NC(=O)N4CCCCCC4=O)CC(C)(C)C3)c(=O)n(CC3(C)CC(NC(=O)N4CCCCCC4=O)CC(C)(C)C3)c2=O)C1- InChIKey
XAUGVXXNNOTSRJ-UHFFFAOYSA-N- 分子式
- C54H87N9O9
- 平均分子量
- 1,006.3 g/mol
- 単同位体質量
- 1,005.66267539
名称と識別子
- 優先名称
- N,N',N''-((2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methylene(3,5,5-trimethylcyclohexane-3,1-diyl)))tris(hexahydro-2-oxo-1H-azepine-1-carboxamide)
- IUPAC
- 2-oxo-N-[3,3,5-trimethyl-5-[[2,4,6-trioxo-3,5-bis[[1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methyl]-1,3,5-triazinan-1-yl]methyl]cyclohexyl]azepane-1-carboxamide
- 現地名
- N,N',N''-[(2,4,6-トリオキソ-1,3,5-トリアジン-1,3,5(2H,4H,6H)-トリイル)トリス[メチレン(3,5,5-トリメチル-3,1-シクロヘキサンジイル)]]トリス[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
- N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethylcyclohexane-3,1-diyl)]]tris[hexahydro-2-oxo-1H-azepine-1-carboxamide]
- 分子式
- C54H81N9O9
- 分子量
- 1000.27584
名称と別名
68975-83-7EINECS 273-482-5F1IFX1F5941H-Azepine-1-carboxamide, N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)]]tris[hexahydro-2-oxo-DTXSID808876391H-Azepine-1-carboxamide, N,N',N''-((2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)))tris(hexahydro-2-oxo-)1H-Azepine-1-carboxamide, N,N',N''-((2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)))tris(hexahydro-2-oxo-N,N',N''-((2,4,6-TRIOXO-1,3,5-TRIAZINE-1,3,5(2H,4H,6H)-TRIYL)TRIS(METHYLENE(3,5,5-TRIMETHYL-3,1-CYCLOHEXANEDIYL)))TRIS(HEXAHYDRO-2-OXO-1H-AZEPINE-1-CARBOXAMIDE)N,N',N''-((2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methylene(3,5,5-trimethylcyclohexane-3,1-diyl)))tris(hexahydro-2-oxo-1H-azepine-1-carboxamide)N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethylcyclohexane-3,1-diyl)]]tris[hexahydro-2-oxo-1H-azepine-1-carboxamide]N,N',N''-[(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)]]tris[hexahydro-2-oxo-1H-azepine-1-carboxamide]RefChem:821577
名称をさらに表示
1,3,5-トリス[[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]-1,5,5-トリメチルシクロヘキシル]メチル]-1,3,5-トリアジン-2,4,6(1H,3H,5H)-トリオンN,N',N''-[(2,4,6-トリオキソ-1,3,5-トリアジン-1,3,5(2H,4H,6H)-トリイル)トリス[メチレン(3,5,5-トリメチル-3,1-シクロヘキサンジイル)]]トリス[ヘキサヒドロ-2-オキソ-1H-アゼピン-1-カルボアミド]2-オキソ-N-(3,3,5-トリメチル-5-{[2,4,6-トリオキソ-3,5-ビス({1,3,3-トリメチル-5-[(2-オキソアゼパン-1-カルボニル)アミノ]シクロヘキシル}メチル)-1,3,5-トリアジナン-1-イル]メチル}シクロヘキシル)アゼパン-1-カルボキサミドN,N′,N′′-[(2,4,6-トリオキソ-1,3,5-トリアジン-1,3,5(2H,4H,6H)-トリイル)トリス[メチレン(3,5,5-トリメチル-3,1-シクロヘキサンジイル)]]トリス[ヘキサヒドロ-2-オキソ-1H-アゼピン-1-カルボアミド]N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3, 5(2H, 4H,6H)-triyl)tris[methylene(3,5,5-trimethyl-3,1H-Azepine-1-carboxamide1,3,5-Tris[[3-[(hexahydro-2-oxo-1H-azepine-1-yl)carbonylamino]-1,5,5-trimethylcyclohexyl]methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione1H-Azepine-1-carboxamide, N,N,N-(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)trismethylene(3,5,5-trimethyl-3,1-cyclohexanediyl)trishexahydro-2-oxo-
DTXCID701026927273-482-5N,N',N''-((2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)- triyl)tris(methylene(3,5,5-trimethylcyclohexane-3,1- diyl)))tris(hexahydro-2-oxo-1H-azepine-1-carboxamide)UNII-F1IFX1F594XAUGVXXNNOTSRJ-UHFFFAOYSA-NNS00062658Q27277513N,N',N''-{(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tris[methylene(3,5,5-trimethylcyclohexane-3,1-diyl)]}tris(2-oxoazepane-1-carboxamide)
データベース識別子
- CAS
68975-83-7- PubChem CID
- 112130
- DTXSID
DTXSID80887639- UNII
- F1IFX1F594
- EC Number
- 273-482-5
- Nikkaji
- J310.662D
物性
構造計算による物性
- XLogP
- 7.3
- 極性表面積
- 209 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 9
- 回転可能結合数
- 9
- 重原子数
- 72
- 形式電荷
- 0
- 複雑度
- 1,890
実験および物理化学的性質
Food Contact Substances
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical DescriptionDry Powder; Other Solid
物理化学的性質
- EPAの化学物質情報
- 1 H-Azepine-1-carboxamide, · 1H-Azepine-1-carboxamide, N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)]]tris[hexahydro-2-oxo- (68975-83-7)
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 58.1% (25 of 43) of all reports.
Danger
H315 (41.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 1H-Azepine-1-carboxamide, N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)]]tris[hexahydro-2-oxo-
1H-Azepine-1-carboxamide, N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)]]tris[hexahydro-2-oxo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Azepine-1-carboxamide, N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)]]tris[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,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)]]tris[hexahydro-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 CategoriesSkin Irrit. 2 (41.9%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 906,503 lb
Consumer UsesHardener
Industry UsesIntermediate
General Manufacturing Information
Paint and Coating Manufacturing
1H-Azepine-1-carboxamide, N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)]]tris[hexahydro-2-oxo-: ACTIVE
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