Cas no 28080-46-8 (Ethanaminium,N,N,N-trimethyl-2-[(3-methylbenzoyl)oxy]-, iodide (1:1))
![Ethanaminium,N,N,N-trimethyl-2-[(3-methylbenzoyl)oxy]-, iodide (1:1) structure](https://ossimg.kuujia.com/scimg/28500/28080-46-8x500.png)
28080-46-8 structure
Product Name:Ethanaminium,N,N,N-trimethyl-2-[(3-methylbenzoyl)oxy]-, iodide (1:1)
CAS No:28080-46-8
MF:C13H20INO2
MW:349.207876205444
CID:266476
PubChem ID:193625
Update Time:2025-04-19
Ethanaminium,N,N,N-trimethyl-2-[(3-methylbenzoyl)oxy]-, iodide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Ethanaminium,N,N,N-trimethyl-2-[(3-methylbenzoyl)oxy]-, iodide (1:1)
- trimethyl-[2-(3-methylphenyl)carbonyloxyethyl]azanium iodide
- Ethanaminium, N,N,N-trimethyl-2-((3-methylbenzoyl)oxy)-, iodide
- 3-Toluoyl choline
- N,N,N-Trimethyl-2-[(3-methylbenzoyl)oxy]ethan-1-aminium iodide
- 28080-46-8
- m-Toluoyl choline
- trimethyl-[2-[(3-methylphenyl)-oxomethoxy]ethyl]ammonium iodide
- DTXSID10950805
- meta-Toluoyl choline
- A821951
-
- Inchi： 1S/C13H20NO2.HI/c1-11-6-5-7-12(10-11)13(15)16-9-8-14(2,3)4;/h5-7,10H,8-9H2,1-4H3;1H/q+1;/p-1
- InChI Key： FKIFGKXPQVOVGT-UHFFFAOYSA-M
- SMILES： [I-].O(C(C1C=CC=C(C)C=1)=O)CC[N+](C)(C)C
Computed Properties
- Exact Mass: 328.8969
- Monoisotopic Mass: 222.149
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 233
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 26.3
Ethanaminium,N,N,N-trimethyl-2-[(3-methylbenzoyl)oxy]-, iodide (1:1) Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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