Cas no 20422-15-5 (1H-Azepinium,hexahydro-1,1-dimethyl-, iodide (1:1))
20422-15-5 structure
Product Name:1H-Azepinium,hexahydro-1,1-dimethyl-, iodide (1:1)
CAS No:20422-15-5
MF:C8H18IN
MW:255.139694690704
CID:285603
PubChem ID:22406032
Update Time:2025-04-19
1H-Azepinium,hexahydro-1,1-dimethyl-, iodide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Azepinium,hexahydro-1,1-dimethyl-, iodide (1:1)
- 1,1-dimethylazepan-1-ium,iodide
- 1,1-dimethylazaperhydroepine, iodide
- 1,1-dimethyl-hexahydro-azepinium, iodide
- 1,1-Dimethyl-hexahydro-azepinium, Jodid
- 1.1-Dimethyl-hexahydroazepinium-jodid
- NSC34086
- SureCN8780632
- NSC-34086
- AKOS024368317
- DTXSID10625526
- 1,1-Dimethylazepan-1-ium iodide
- SCHEMBL8780632
- 20422-15-5
-
- Inchi： 1S/C8H18N.HI/c1-9(2)7-5-3-4-6-8-9;/h3-8H2,1-2H3;1H/q+1;/p-1
- InChI Key： NKLYBWNVAWUKMJ-UHFFFAOYSA-M
- SMILES： [I-].[N+]1(C)(C)CCCCCC1
Computed Properties
- Exact Mass: 128.14404
- Monoisotopic Mass: 255.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 76.6
- 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: 0A^2
Experimental Properties
- PSA: 0
- LogP: -1.40040
1H-Azepinium,hexahydro-1,1-dimethyl-, iodide (1:1) Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
20422-15-5 (1H-Azepinium,hexahydro-1,1-dimethyl-, iodide (1:1)) Related Products
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