2-Propenoic acid, 2-[[[[[1,3,3-trimethyl-5-[[[2-[(1-oxo-2-propen-1-yl)oxy]ethoxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxy]ethyl ester
基本情報
- CAS
42404-50-2- 標準SMILES
C=CC(=O)OCCOC(=O)NCC1(C)CC(NC(=O)OCCOC(=O)C=C)CC(C)(C)C1- InChIKey
IMSBADSIQBESPD-UHFFFAOYSA-N- 分子式
- C22H34N2O8
- 平均分子量
- 454.5 g/mol
- 単同位体質量
- 454.23151605
名称と識別子
- 優先名称
- 2-Propenoic acid, 2-[[[[[1,3,3-trimethyl-5-[[[2-[(1-oxo-2-propen-1-yl)oxy]ethoxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxy]ethyl ester
- IUPAC
- 2-[[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]methylcarbamoyloxy]ethyl prop-2-enoate
名称と別名
42404-50-22-Propenoic acid, 2-(((((1,3,3-trimethyl-5-(((2-((1-oxo-2-propenyl)oxy)ethoxy)carbonyl)amino)cyclohexyl)methyl)amino)carbonyl)oxy)ethyl esterDTXSID508660922-Propenoic acid, 2-(((((1,3,3-trimethyl-5-(((2-((1-oxo-2-propen-1-yl)oxy)ethoxy)carbonyl)amino)cyclohexyl)methyl)amino)carbonyl)oxy)ethyl ester2-Propenoic acid, 2-[[[[[1,3,3-trimethyl-5-[[[2-[(1-oxo-2-propen-1-yl)oxy]ethoxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxy]ethyl ester2-Propenoic acid, 2-[[[[[1,3,3-trimethyl-5-[[[2-[(1-oxo-2-propenyl)oxy]ethoxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxy]ethyl esterRefChem:479197DTXCID00814422SCHEMBL12172788IMSBADSIQBESPD-UHFFFAOYSA-NNS001222662-{[({1,3,3-Trimethyl-5-[({2-[(prop-2-enoyl)oxy]ethoxy}carbonyl)amino]cyclohexyl}methyl)carbamoyl]oxy}ethyl prop-2-enoate
データベース識別子
- CAS
42404-50-2- PubChem CID
- 6451875
- DTXSID
DTXSID50866092- Nikkaji
- J1.531.403F
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 129 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 15
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 706
実験および物理化学的性質
Physical DescriptionLiquid
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。
危険有害性情報
Regulatory Information
Chemical: 2-Propenoic acid, 2-[[[[[1,3,3-trimethyl-5-[[[2-[(1-oxo-2-propen-1-yl)oxy]ethoxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxy]ethyl ester
2-Propenoic acid, 2-[[[[[1,3,3-trimethyl-5-[[[2-[(1-oxo-2-propen-1-yl)oxy]ethoxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxy]ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 2-[[[[[1,3,3-trimethyl-5-[[[2-[(1-oxo-2-propen-1-yl)oxy]ethoxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxy]ethyl ester 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
2-Propenoic acid, 2-[[[[[1,3,3-trimethyl-5-[[[2-[(1-oxo-2-propen-1-yl)oxy]ethoxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxy]ethyl ester: 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.
化学と産業
用途と製造
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesPhotosensitizers
Industry UsesPhotosensitizers
General Manufacturing Information
Printing and Related Support Activities
2-Propenoic acid, 2-[[[[[1,3,3-trimethyl-5-[[[2-[(1-oxo-2-propen-1-yl)oxy]ethoxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxy]ethyl ester: ACTIVE
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…