Cas no 1126794-98-6 (9-Benzyl-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one;bromide)
![9-Benzyl-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one;bromide structure](https://ossimg.kuujia.com/scimg/1127000/1126794-98-6x500.png)
1126794-98-6 structure
Product Name:9-Benzyl-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one;bromide
CAS No:1126794-98-6
MF:C16H22BrNO
MW:324.255983829498
CID:2136260
Update Time:2023-08-03
9-Benzyl-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one;bromide Chemical and Physical Properties
Names and Identifiers
-
- 9-methyl-3-oxo-9-(phenylmethyl)-9-Azoniabicyclo[3.3.1]nonane bromide
- 9-Benzyl-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one;bromide
-
- Inchi： 1S/C16H22NO.BrH/c1-17(12-13-6-3-2-4-7-13)14-8-5-9-15(17)11-16(18)10-14;/h2-4,6-7,14-15H,5,8-12H2,1H3;1H/q+1;/p-1
- InChI Key： GBXZEHSIPHEDSX-UHFFFAOYSA-M
- SMILES： [Br-].O=C1CC2CCCC(C1)[N+]2(C)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 323.088
- Monoisotopic Mass: 323.088
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 303
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
9-Benzyl-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one;bromide Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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