Cas no 141364-78-5 (1H-Pyrrole-2,5-dione, 3,3'-(1,16-hexadecanediyl)bis[4-methyl-)
141364-78-5 structure
Product Name:1H-Pyrrole-2,5-dione, 3,3'-(1,16-hexadecanediyl)bis[4-methyl-
CAS No:141364-78-5
MF:C26H40N2O4
MW:444.60680770874
CID:1304275
PubChem ID:71343672
Update Time:2025-04-20
1H-Pyrrole-2,5-dione, 3,3'-(1,16-hexadecanediyl)bis[4-methyl- Chemical and Physical Properties
Names and Identifiers
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- 3-methyl-4-[16-(4-methyl-2,5-dioxopyrrol-3-yl)hexadecyl]pyrrole-2,5-dione
- 141364-78-5
- DTXSID20770233
- 3,3'-(Hexadecane-1,16-diyl)bis(4-methyl-1H-pyrrole-2,5-dione)
- 1H-Pyrrole-2,5-dione, 3,3'-(1,16-hexadecanediyl)bis[4-methyl-
-
- Inchi： 1S/C26H40N2O4/c1-19-21(25(31)27-23(19)29)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-22-20(2)24(30)28-26(22)32/h3-18H2,1-2H3,(H,27,29,31)(H,28,30,32)
- InChI Key： AQSDEQUDDRQPQH-UHFFFAOYSA-N
- SMILES： O=C1C(=C(C)C(N1)=O)CCCCCCCCCCCCCCCCC1C(NC(C=1C)=O)=O
Computed Properties
- Exact Mass: 444.299
- Monoisotopic Mass: 444.29880776g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 17
- Complexity: 700
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.2
- Topological Polar Surface Area: 92.3?2
Experimental Properties
- PSA: 92.34
1H-Pyrrole-2,5-dione, 3,3'-(1,16-hexadecanediyl)bis[4-methyl- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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