Perylene-3,4,9,10-tetracarboxylic dianhydride (CAS 128-69-8)

3,4,9,10-Perylenetetracarboxylic dianhydride

CAS 128-69-8 · C₂₄H₈O₆ · MW 392.3 g/mol

关于 Perylene-3,4,9,10-tetracarboxylic dianhydride (CAS 128-69-8)

Perylene-3,4,9,10-tetracarboxylic dianhydride (CAS 128-69-8) 是一种化学品，登记号为 CAS 128-69-8，分子式为 C₂₄H₈O₆，摩尔质量为 392.3 g/mol。

该分子包含 38 个原子，通过 44 个化学键连接。该化合物的完整系统 IUPAC 名称为 7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone。上方的交互式 3D 模型可查看原子的空间排列——您可以用鼠标旋转、用滚轮缩放，并在骨架 / 球棍 (Ball & Stick) / 空间填充 (Space Fill) 显示模式之间切换。

在理化性质方面，分配系数 logP = 4.5 (正值，亲脂性化合物)，极性表面积 PSA = 86.7 Å²，0 个氢键供体和 6 个氢键受体。这些参数对于评估生物利用度以及与生物分子的相互作用至关重要。

该化合物的化学数据来自 PubChem（NIH NLM NCBI），全球最大的化学数据库之一。所有信息均自动更新，并附有符合 CLP 法规（EC 1272/2008）的 GHS 危险说明翻译。上方的小部件可用于教育、研究和商业用途。

理化性质

Wzór sumaryczny	C₂₄H₈O₆
Masa molowa	392.3 g/mol
IUPAC	7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
SMILES	`C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)OC7=O)C(=O)OC2=O`
InChIKey	`CLYVDMAATCIVBF-UHFFFAOYSA-N`
logP (XLogP3)	4.5
PSA	86.7 Å²
HBD / HBA	0 / 6
PubChem CID	CID 67191 ↗

GHS 安全

Sygnał: Uwaga

GHS07

科学文献

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Figure 3 - Buckles from Kenysh 3 and their analogies: 1-2 - k. 1 - Kenysh 3; 3 - mound Zhaltyr ([17]); 4 - p. 2 k. 5 burial ground Taldysay 1 ([10]); 5-6 - k. 2 burial ground Kyzyltepe ([4]); 7 - burial ground Kuyumazar ([18]); 8-9 - t. 4 p. 27 near Zhutovo station ([15]); 10 - grave near Alt-Veimar village ([19]); 11 - t. 21 burial ground Firsovo-XI ([20]); 12 - dwelling 1 of Kargat 4 ([21]); 13 - burial ground Ala-Tei 1 ([22]); 14 - burial ground Kaly ([15]); 15-16 (p. 52), 17 (p. 114), 18 (p. 123) - burial ground Dyrestuy ([25]); 19-23 - Ivolginsky site ([23]); 24 - Ivolginsky burial ground ([24]); 25 - burial ground Daodunzi ([15]). 1-4, 7, 10-12, 21-23 - bone and horn; 5, 6, 8, 9, 13, 14, 25 - gagate; 15-20, 24 - shale

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Figure 5 - Evstyunikha I. Stone products (1-8 - arrowheads; 9-13 - incisors; 14, 15, 17-20 - incisors-carvers; 16 - combined tool; 21-23 - carvers; 24, 25 - points )

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

同义词

128-69-8 · 3,4,9,10-Perylenetetracarboxylic dianhydride · Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone · Perylo(3,4-cd:9,10-c'd')dipyran-1,3,8,10-tetrone · 3,4:9,10-Perylenetetracarboxylic anhydride · 3,4,9,10-Perylenetetracarboxylic 3,4:9,10-dianhydride · PTCDA cpd · RefChem:90972 · DTXCID1033901 · PTCDA · Perylene-3,4,9,10-tetracarboxylic dianhydride · anthra[2,1,9-def:6,5,10-d'e'f']diisochromene-1,3,8,10-tetraone · Perylenetetracarboxylic anhydride · Perylenetetracarboxylic acid dianhydride · C24H8O6

数据来源

📊 PubChem CID 67191 — NIH
🔬 NIST WebBook — spektroskopia
💊 ChEMBL — bioaktywność

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