Cas no 10457-86-0 (Pyridinium,3-(butoxycarbonyl)-1,2,5,6-tetrahydro-1,1-dimethyl-, iodide (1:1))
10457-86-0 structure
Product Name:Pyridinium,3-(butoxycarbonyl)-1,2,5,6-tetrahydro-1,1-dimethyl-, iodide (1:1)
CAS No:10457-86-0
MF:C12H22INO2
MW:339.213056087494
CID:150087
PubChem ID:202505
Update Time:2025-04-19
Pyridinium,3-(butoxycarbonyl)-1,2,5,6-tetrahydro-1,1-dimethyl-, iodide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Pyridinium,3-(butoxycarbonyl)-1,2,5,6-tetrahydro-1,1-dimethyl-, iodide (1:1)
- butyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate,iodide
- 3-Carboxy-1,2,5,6-tetrahydro-1,1-dimethylpyridiniumiodide, butyl ester (7CI)
- Pyridinium,3-(butoxycarbonyl)-1,2,5,6-tetrahydro-1,1-dimethyl-, iodide (9CI)
- Pyridinium,3-carboxy-1,2,5,6-tetrahydro-1,1-dimethyl-, iodide, butyl ester (8CI)
- Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, butyl ester
- Pyridinium, 3-(butoxycarbonyl)-1,2,5,6-tetrahydro-1,1-dimethyl-, iodide
- 10457-86-0
- 5-(Butoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide
- n-Butyl-1-methyl-1,2,5,6-tetrahydronicotinate methiodide
- DTXSID20909041
-
- Inchi： 1S/C12H22NO2.HI/c1-4-5-9-15-12(14)11-7-6-8-13(2,3)10-11;/h7H,4-6,8-10H2,1-3H3;1H/q+1;/p-1
- InChI Key： ONNAEFWZVLNWBJ-UHFFFAOYSA-M
- SMILES： [I-].O(CCCC)C(C1=CCC[N+](C)(C)C1)=O
Computed Properties
- Exact Mass: 316.8969
- Monoisotopic Mass: 339.06953g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 256
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Pyridinium,3-(butoxycarbonyl)-1,2,5,6-tetrahydro-1,1-dimethyl-, iodide (1:1) Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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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
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
10457-86-0 (Pyridinium,3-(butoxycarbonyl)-1,2,5,6-tetrahydro-1,1-dimethyl-, iodide (1:1)) Related Products
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