Cas no 50822-99-6 (2-(4-methoxyphenyl)-N,N,N-trimethylethanaminium chloride)
50822-99-6 structure
Product Name:2-(4-methoxyphenyl)-N,N,N-trimethylethanaminium chloride
CAS No:50822-99-6
MF:C12H20ClNO
MW:229.746302604675
CID:1572907
PubChem ID:6452266
Update Time:2025-04-21
2-(4-methoxyphenyl)-N,N,N-trimethylethanaminium chloride Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-methoxyphenyl)-N,N,N-trimethylethanaminium chloride
- 2-(4-methoxyphenyl)ethyl-trimethylazanium,chloride
- 50822-99-6
- DTXSID10965055
- Benzeneethanaminium, 4-methoxy-N,N,N-trimethyl-, chloride
- ortho-methylcandicine chloride
- 2-(4-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium chloride
- CHEMBL501773
- 4-Methoxy-N,N,N-trimethylbenzeneethanaminium chloride
-
- Inchi： 1S/C12H20NO.ClH/c1-13(2,3)10-9-11-5-7-12(14-4)8-6-11;/h5-8H,9-10H2,1-4H3;1H/q+1;/p-1
- InChI Key： NUXZNOMKLWQSNZ-UHFFFAOYSA-M
- SMILES： [Cl-].O(C)C1C=CC(=CC=1)CC[N+](C)(C)C
Computed Properties
- Exact Mass: 208.9669
- Monoisotopic Mass: 229.123342
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 154
- 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: 9.2
Experimental Properties
- PSA: 9.23
2-(4-methoxyphenyl)-N,N,N-trimethylethanaminium chloride Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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