Cas no 34285-39-7 (Pyridinium,3-benzoyl-1-methyl-, iodide (1:1))
34285-39-7 structure
Product Name:Pyridinium,3-benzoyl-1-methyl-, iodide (1:1)
CAS No:34285-39-7
MF:C13H12INO
MW:325.144955635071
CID:321773
PubChem ID:12582431
Update Time:2025-04-19
Pyridinium,3-benzoyl-1-methyl-, iodide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Pyridinium,3-benzoyl-1-methyl-, iodide (1:1)
- (1-methylpyridin-1-ium-3-yl)-phenylmethanone,iodide
- 1-Methyl-3-benzoyl-pyridiniodid
- 3-benzoyl-1-methylpyridinium iodide
- 3-benzoyl-1-methylpyridinium methiodide
- 3-benzoyl-1-methyl-pyridinium, iodide
- 3-Benzoyl-1-methyl-pyridinium, Jodid
- 3-Benzoyl-N-methylpyridiniumiodid
- N-methyl-(3-benzoyl)-pyridinium iodide
- NSC122823
- DTXSID80503327
- 3-Benzoyl-1-methylpyridin-1-ium iodide
- NSC-122823
- 34285-39-7
- (1-methylpyridin-1-ium-3-yl)-phenylmethanone;iodide
-
- Inchi： 1S/C13H12NO.HI/c1-14-9-5-8-12(10-14)13(15)11-6-3-2-4-7-11;/h2-10H,1H3;1H/q+1;/p-1
- InChI Key： MYDDSBZHTYDLOQ-UHFFFAOYSA-M
- SMILES： [I-].O=C(C1C=CC=CC=1)C1=CC=C[N+](C)=C1
Computed Properties
- Exact Mass: 324.99600
- Monoisotopic Mass: 324.99636g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 221
- 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: 21?2
Experimental Properties
- PSA: 20.95000
- LogP: -1.25390
Pyridinium,3-benzoyl-1-methyl-, iodide (1:1) Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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