Cas no 10030-88-3 (2-Hydroxyethyltrimethylammonium (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alaninate)
10030-88-3 structure
Product Name:2-Hydroxyethyltrimethylammonium (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alaninate
CAS No:10030-88-3
MF:C14H30N2O6
MW:322.397804737091
CID:186314
PubChem ID:21155878
Update Time:2025-04-19
2-Hydroxyethyltrimethylammonium (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alaninate Chemical and Physical Properties
Names and Identifiers
-
- 2-Hydroxyethyltrimethylammonium (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alaninate
- 2-hydroxy-N,N,N-trimethylethanaminium 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate
- 10030-88-3
- Choline, pantothenate
- .beta.-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, ion(1-), (R)-, 2-hydroxy-N,N,N-trimethylethanaminium
- SCHEMBL692719
- 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate;2-hydroxyethyl(trimethyl)azanium
- pantothenate choline
- EINECS 233-081-8
- ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, SALT WITH (R)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-.BETA.-ALANINE (1:1)
- NS00082521
- choline pantothenate
- THH96D721T
- UNII-THH96D721T
-
- Inchi： 1S/C9H17NO5.C5H14NO/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;1-6(2,3)4-5-7/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);7H,4-5H2,1-3H3/q;+1/p-1/t7-;/m0./s1
- InChI Key： HXCGBBALZREMAS-FJXQXJEOSA-M
- SMILES： O[C@@H](C(NCCC(=O)[O-])=O)C(C)(C)CO.OCC[N+](C)(C)C
Computed Properties
- Exact Mass: 322.2105
- Monoisotopic Mass: 322.21038668g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 280
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 130?2
Experimental Properties
- PSA: 129.92
2-Hydroxyethyltrimethylammonium (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alaninate Related Literature
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
10030-88-3 (2-Hydroxyethyltrimethylammonium (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alaninate) Related Products
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