Cas no 10329-41-6 (4-Trimethylammoniobutanoate)
4-Trimethylammoniobutanoate structure
Product Name:4-Trimethylammoniobutanoate
4-Trimethylammoniobutanoate Chemical and Physical Properties
Names and Identifiers
-
- 4-trimethylammoniobutanoic acid
- 4-TRIMETHYLAMMONIOBUTANOATE
- 3-carboxy-N,N,N-trimethylpropan-1-aminium
- Deoxycarnitine hydrochloride
- gamma-Butyrobetaine hydrochloride
- 3-carboxypropyl-trimethyl-ammonium
- NM2
- 4c5w
- bmse000794
- bmse000894
- C01181
- 4-(trimethylammonio)butanoic acid
- (4-hydroxy-4-oxobutyl)-trimethylazanium
- 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-
- NM3
- Q27105530
- CHEBI:1941
- 10329-41-6
- SCHEMBL172269
- 4-N-trimethylammonium butyrate
- (3-Carboxypropyl)trimethylammonium
- (3-carboxypropyl)trimethylazanium
- DTXSID501043024
- 3-carboxypropyl(trimethyl)azanium
- PD098599
- 4-Trimethylammoniobutanoate
-
- Inchi： 1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1
- InChI Key： JHPNVNIEXXLNTR-UHFFFAOYSA-O
- SMILES： OC(CCC[N+](C)(C)C)=O
Computed Properties
- Exact Mass: 146.118103753g/mol
- Monoisotopic Mass: 146.118103753g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 115
- 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
- Topological Polar Surface Area: 37.3
- XLogP3: 0.1
4-Trimethylammoniobutanoate 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
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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