Cas no 5472-44-6 (Azocinium,1,1'-(1,6-hexanediyl)bis[octahydro-1-methyl-, dibromide (9CI))
5472-44-6 structure
Product Name:Azocinium,1,1'-(1,6-hexanediyl)bis[octahydro-1-methyl-, dibromide (9CI)
CAS No:5472-44-6
MF:C22H46BrN2
MW:418.518045902252
CID:379491
PubChem ID:54611936
Update Time:2025-04-19
Azocinium,1,1'-(1,6-hexanediyl)bis[octahydro-1-methyl-, dibromide (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-1-[6-(1-methylazocan-1-ium-1-yl)hexyl]azocan-1-ium,bromide
- 5472-44-6
- 1-methyl-1-[6-(1-methylazocan-1-ium-1-yl)hexyl]azocan-1-ium;bromide
- DTXSID70715437
- NSC-28412
- NSC28412
- Azocinium,1,1'-(1,6-hexanediyl)bis[octahydro-1-methyl-, dibromide (9CI)
-
- Inchi： 1S/C22H46N2.BrH/c1-23(17-11-5-3-6-12-18-23)21-15-9-10-16-22-24(2)19-13-7-4-8-14-20-24;/h3-22H2,1-2H3;1H/q+2;/p-1
- InChI Key： ONHLTIFWXCONHM-UHFFFAOYSA-M
- SMILES： [Br-].[N+]1(C)(CCCCCCC1)CCCCCC[N+]1(C)CCCCCCC1
Computed Properties
- Exact Mass: 338.36638
- Monoisotopic Mass: 417.284
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 25
- Rotatable Bond Count: 7
- Complexity: 278
- 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
Azocinium,1,1'-(1,6-hexanediyl)bis[octahydro-1-methyl-, dibromide (9CI) Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
5472-44-6 (Azocinium,1,1'-(1,6-hexanediyl)bis[octahydro-1-methyl-, dibromide (9CI)) Related Products
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