7,8,9,10,11,12,20,21,22,23,24,25-ドデカヒドロジベンゾ[i,t][1,4,7,12,15,18]ヘキサアザシクロドコシン-5,13,18,26(6H,19H)-テトラオン
Dibenzo(i,t)(1,4,7,12,15,18)hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-
基本情報
- CAS
68003-28-1- 標準SMILES
O=C1NCCNCCNC(=O)c2ccccc2C(=O)NCCNCCNC(=O)c2ccccc21- InChIKey
IENBGFRUACWIIB-UHFFFAOYSA-N- 分子式
- C24H30N6O4
- 平均分子量
- 466.5 g/mol
- 単同位体質量
- 466.23285346
名称と識別子
- 優先名称
- Dibenzo(i,t)(1,4,7,12,15,18)hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-
- IUPAC
- 3,6,9,18,21,24-hexazatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene-2,10,17,25-tetrone
- 現地名
- 7,8,9,10,11,12,20,21,22,23,24,25-ドデカヒドロジベンゾ[i,t][1,4,7,12,15,18]ヘキサアザシクロドコシン-5,13,18,26(6H,19H)-テトラオン
- 英語名
- 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydrodibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone
- 分子式
- C24H30N6O4
- 分子量
- 466.53
名称と別名
68003-28-1EINECS 268-115-07,8,9,10,11,12,20,21,22,23,24,25-dodecahydrodibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6h,19h)-tetroneDTXSID8070962Dibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-Dibenzo(i,t)(1,4,7,12,15,18)hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-7,8,9,10,11,12,20,21,22,23,24,25-Dodecahydrodibenzo(i,t)(1,4,7,12,15,18)hexaazacyclodocosine-5,13,18,26(6H,19H)-tetroneRefChem:586397DTXCID4045393268-115-0Dibenzoi,t1,4,7,12,15,18hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-7,8,9,10,11,12,20,21,22,23,24,25-Dodecahydrodibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetraone
名称をさらに表示
7,8,9,10,11,12,20,21,22,23,24,25-ドデカヒドロジベンゾ[i,t][1,4,7,12,15,18]ヘキサアザシクロドコシン-5,13,18,26(6H,19H)-テトラオン
物性
構造計算による物性
- XLogP
- -0.4
- 極性表面積
- 140 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 6
- 回転可能結合数
- 0
- 重原子数
- 34
- 形式電荷
- 0
- 複雑度
- 589
実験および物理化学的性質
Physical DescriptionLiquid
物理化学的性質
- 沸点
- 960.1 · 960.1±65.0 °C(Predicted)
- 比重(密度)
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 13.34 · 13.34±0.20(Predicted)
- EPAの化学物質情報
- 1 · Dibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro- (68003-28-1)
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% (23 of 23) of all reports.
Not Classified
Aggregated GHS information provided per 23 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Dibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-
Dibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro- 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)
Dibenzoi,t1,4,7,12,15,18hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-: 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. Production2022: 250,000 - <550,000 lb
Industry UsesHardener
General Manufacturing Information
Transportation Equipment Manufacturing
Dibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-: ACTIVE
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