Cas no 87233-68-9 (2-(4-methyl-1,4-diazepan-1-yl)-1-[2-(prop-2-en-1-yloxy)ethyl]-1H-benzimidazole di[(2E)-but-2-enedioate])
![2-(4-methyl-1,4-diazepan-1-yl)-1-[2-(prop-2-en-1-yloxy)ethyl]-1H-benzimidazole di[(2E)-but-2-enedioate] structure](https://ossimg.kuujia.com/scimg/87500/87233-68-9x500.png)
87233-68-9 structure
Product Name:2-(4-methyl-1,4-diazepan-1-yl)-1-[2-(prop-2-en-1-yloxy)ethyl]-1H-benzimidazole di[(2E)-but-2-enedioate]
CAS No:87233-68-9
MF:C26H34N4O9
MW:546.569567203522
CID:1866694
PubChem ID:6448425
Update Time:2025-04-21
2-(4-methyl-1,4-diazepan-1-yl)-1-[2-(prop-2-en-1-yloxy)ethyl]-1H-benzimidazole di[(2E)-but-2-enedioate] Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-methyl-1,4-diazepan-1-yl)-1-[2-(prop-2-en-1-yloxy)ethyl]-1H-benzimidazole di[(2E)-but-2-enedioate]
- (E)-but-2-enedioic acid,2-(4-methyl-1,4-diazepan-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole
- 87233-68-9
- 1H-Benzimidazole, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1-(2-(2-propenyloxy)ethyl)-, (E)-2-butenedioate (1:2)
- SCHEMBL11021660
- 1-(2-(Allyloxy)ethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarate
- PERMKAPNVBREAM-LVEZLNDCSA-N
- SCHEMBL11076511
- 1-[2-(allyloxy)ethyl]-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarate
-
- Inchi： 1S/C18H26N4O.2C4H4O4/c1-3-14-23-15-13-22-17-8-5-4-7-16(17)19-18(22)21-10-6-9-20(2)11-12-21;2*5-3(6)1-2-4(7)8/h3-5,7-8H,1,6,9-15H2,2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
- InChI Key： PERMKAPNVBREAM-LVEZLNDCSA-N
- SMILES： O(CC=C)CCN1C2C=CC=CC=2N=C1N1CCN(C)CCC1.OC(/C=C/C(=O)O)=O.OC(/C=C/C(=O)O)=O
Computed Properties
- Exact Mass: 546.23257867Da
- Monoisotopic Mass: 546.23257867Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 39
- Rotatable Bond Count: 10
- Complexity: 497
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 183?2
2-(4-methyl-1,4-diazepan-1-yl)-1-[2-(prop-2-en-1-yloxy)ethyl]-1H-benzimidazole di[(2E)-but-2-enedioate] Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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