Cas no 2963-75-9 (Ethanaminium,N,N,N-trimethyl-2-[(1-oxopentyl)oxy]-, iodide (1:1))
![Ethanaminium,N,N,N-trimethyl-2-[(1-oxopentyl)oxy]-, iodide (1:1) structure](https://ossimg.kuujia.com/scimg/3000/2963-75-9x500.png)
2963-75-9 structure
Product Name:Ethanaminium,N,N,N-trimethyl-2-[(1-oxopentyl)oxy]-, iodide (1:1)
CAS No:2963-75-9
MF:C10H22INO2
MW:315.191655635834
CID:256688
PubChem ID:18076
Update Time:2025-04-19
Ethanaminium,N,N,N-trimethyl-2-[(1-oxopentyl)oxy]-, iodide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Ethanaminium,N,N,N-trimethyl-2-[(1-oxopentyl)oxy]-, iodide (1:1)
- trimethyl(2-pentanoyloxyethyl)azanium,iodide
- VALERYLCHOLINE IODIDE
- (2-Hydroxyethyl)trimethylammonium iodide valerate
- AC1L2BAQ
- AMMONIUM, (2-HYDROXYETHYL)TRIMETHYL-, IODIDE, VALERATE
- Choline, iodide, valerate
- Choline, valerate
- Ethanaminium, N,N,N-trimethyl-2-((1-oxopentyl)oxy)-, iodide
- Pentanoylcholine iodide
- Trimethyl-(2-valeryloxy-aethyl)-ammonium, Jodid
- trimethyl-(2-valeryloxy-ethyl)-ammonium, iodide
- Ethanaminium, N,N,N-trimethyl-2-[(1-oxopentyl)oxy]-, iodide
- NSC88944
- 2963-75-9
- Ethanaminium, N,N,N-trimethyl-2-((1-oxopentyl)oxy)-, iodide (1:1)
- NSC-88944
- Ammonium, iodide, valerate
- NSC 88944
- trimethyl(2-pentanoyloxyethyl)azanium;iodide
- WLN: 4VO2K1&1&1 &I
- Ethanaminium,N,N-trimethyl-2-[(1-oxopentyl)oxy]-, iodide
- DTXSID10883543
- O-Butyrylcholine chloride
- Ethanaminium, N,N,N-trimethyl-2-[(1-oxopentyl)oxy]-, iodide (1:1)
-
- Inchi： 1S/C10H22NO2.HI/c1-5-6-7-10(12)13-9-8-11(2,3)4;/h5-9H2,1-4H3;1H/q+1;/p-1
- InChI Key： RWGZXGARZIWPQA-UHFFFAOYSA-M
- SMILES： [I-].O(C(CCCC)=O)CC[N+](C)(C)C
Computed Properties
- Exact Mass: 315.07000
- Monoisotopic Mass: 315.06953g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 150
- 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: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: -1.57000
Ethanaminium,N,N,N-trimethyl-2-[(1-oxopentyl)oxy]-, iodide (1:1) Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
2963-75-9 (Ethanaminium,N,N,N-trimethyl-2-[(1-oxopentyl)oxy]-, iodide (1:1)) Related Products
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