Cas no 61659-30-1 (Piperidinium, 1,1-dimethyl-, benzoate)
61659-30-1 structure
Product Name:Piperidinium, 1,1-dimethyl-, benzoate
CAS No:61659-30-1
MF:C14H21NO2
MW:235.32204413414
CID:471005
PubChem ID:71393662
Update Time:2025-04-19
Piperidinium, 1,1-dimethyl-, benzoate Chemical and Physical Properties
Names and Identifiers
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- Piperidinium, 1,1-dimethyl-, benzoate
- 1,1-dimethylpiperidin-1-ium,benzoate
- 61659-30-1
- 1,1-Dimethylpiperidin-1-ium benzoate
- DTXSID00815419
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- Inchi: 1S/C7H16N.C7H6O2/c1-8(2)6-4-3-5-7-8;8-7(9)6-4-2-1-3-5-6/h3-7H2,1-2H3;1-5H,(H,8,9)/q+1;/p-1
- InChI Key: BGELMRLJIJWQEX-UHFFFAOYSA-M
- SMILES: [O-]C(C1C=CC=CC=1)=O.[N+]1(C)(C)CCCCC1
Computed Properties
- Exact Mass: 235.15733
- Monoisotopic Mass: 235.157228913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 166
- 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: 40.1?2
Experimental Properties
- PSA: 40.13
Piperidinium, 1,1-dimethyl-, benzoate Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
61659-30-1 (Piperidinium, 1,1-dimethyl-, benzoate) Related Products
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- 158861-24-6(3-[(piperidin-1-yl)methyl]benzoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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