Cas no 79513-60-3 (1-methyl-8-propoxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole (2E)-but-2-enedioate)
![1-methyl-8-propoxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole (2E)-but-2-enedioate structure](https://ossimg.kuujia.com/scimg/80000/79513-60-3x500.png)
79513-60-3 structure
Product Name:1-methyl-8-propoxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole (2E)-but-2-enedioate
CAS No:79513-60-3
MF:C18H23N3O5
MW:361.39232468605
CID:1797815
PubChem ID:6447643
Update Time:2025-04-21
1-methyl-8-propoxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole (2E)-but-2-enedioate Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-8-propoxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole (2E)-but-2-enedioate
- (E)-but-2-enedioic acid,1-methyl-8-propoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
- Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-propoxy-, maleate
- 79513-60-3
- 1-Methyl-8-propoxy-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole maleate
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- Inchi： 1S/C14H19N3O.C4H4O4/c1-3-9-18-11-5-6-13-12(10-11)15-14-16(2)7-4-8-17(13)14;5-3(6)1-2-4(7)8/h5-6,10H,3-4,7-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
- InChI Key： DNWHQWGYBXUETF-WLHGVMLRSA-N
- SMILES： O(CCC)C1C=CC2=C(C=1)N=C1N(C)CCCN12.OC(/C=C/C(=O)O)=O
Computed Properties
- Exact Mass: 361.16377084g/mol
- Monoisotopic Mass: 361.16377084g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 405
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 105?2
1-methyl-8-propoxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole (2E)-but-2-enedioate Related Literature
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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