Cas no 17176-43-1 (3-carboxy-3,6-dihydroxy-6-oxo-hexanoate; 2-hydroxyethyl-trimethyl-azanium; 2-trimethylammonioacetate)
17176-43-1 structure
Product Name:3-carboxy-3,6-dihydroxy-6-oxo-hexanoate; 2-hydroxyethyl-trimethyl-azanium; 2-trimethylammonioacetate
CAS No:17176-43-1
MF:C24H54N4O12
MW:590.705168247223
CID:144834
Update Time:2024-01-25
3-carboxy-3,6-dihydroxy-6-oxo-hexanoate; 2-hydroxyethyl-trimethyl-azanium; 2-trimethylammonioacetate Chemical and Physical Properties
Names and Identifiers
-
- 3-carboxy-3,6-dihydroxy-6-oxohexanoate,2-hydroxyethyl(trimethyl)azanium,2-(trimethylazaniumyl)acetate
- betaine choline [R-(R*,R*)]-tartrate
- 2-hydroxyethyl-trimethyl-azanium
- 2-trimethylammonioacetate
- 3-carboxy-3,6-dihydroxy-6-oxo-hexanoate
- EINECS 241-225-6
- 3-carboxy-3,6-dihydroxy-6-oxo-hexanoate; 2-hydroxyethyl-trimethyl-azanium; 2-trimethylammonioacetate
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- Inchi： 1S/2C5H11NO2.2C5H14NO.C4H6O6/c2*1-6(2,3)4-5(7)8;2*1-6(2,3)4-5-7;5-1(3(7)8)2(6)4(9)10/h2*4H2,1-3H3;2*7H,4-5H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q;;2*+1;/p-2/t;;;;1-,2-/m....1/s1
- InChI Key： FBKOEKCFEOIYKS-YDTDZXAPSA-L
- SMILES： [O-]C(C[N+](C)(C)C)=O.OCC[N+](C)(C)C.[O-]C(C[N+](C)(C)C)=O.OCC[N+](C)(C)C.C([O-])(=O)[C@@H]([C@H](C([O-])=O)O)O
Computed Properties
- Exact Mass: 590.37400
Experimental Properties
- PSA: 241.44000
- LogP: -8.53720
3-carboxy-3,6-dihydroxy-6-oxo-hexanoate; 2-hydroxyethyl-trimethyl-azanium; 2-trimethylammonioacetate Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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