Cas no 407-64-7 ((4-hydroxy-4-oxobutyl)-trimethylazanium)
407-64-7 structure
Product Name:(4-hydroxy-4-oxobutyl)-trimethylazanium
(4-hydroxy-4-oxobutyl)-trimethylazanium Chemical and Physical Properties
Names and Identifiers
-
- (4-hydroxy-4-oxobutyl)-trimethylazanium
- 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-, hydroxide, inner salt (9ci)
- Actinine
- Deoxycarnitine
- Butyrobetaine;4-Trimethylammoniobutanoic acid;gamma-butyrobetaine;3-Carboxylato-N pound notN pound notN-trimethyl-1-propanaminium;(4-hydroxy-4-oxobutyl)-trimethylazanium
- 4-trimethylazaniumylbutanoate
- gamma-Butyrobetain [German]
- PD048099
- GBB
- 3-carboxypropyl-trimethyl-ammonium
- BCP29262
- HD7GI3HY9Q
- SCHEMBL233637
- 4-(trimethylammonio)butanoate
- 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-, hydroxide, inner salt
- 2wsx
- gamma Butyrobetaine
- 4-Butyrobetaine
- gamma-Butyrobetain
- Ammonium, (3-carboxypropyl)trimethyl-, hydroxide, inner salt
- 4-(N-Trimethylamino)butyrate
- -Butyrobetaine;Deoxycarnitine
- 4-(trimethylamino)butanoate
- CHEMBL2074645
- gamma-Butyrobetaine;Deoxycarnitine
- Butyrobetaine
- DTXSID00961102
- 4-TRIMETHYLAMMONIOBUTANOATE
- GTPL6605
- AKOS025295305
- N-Trimethyl-gamma-aminobutyric acid
- NS00074139
- 4-(trimethylazaniumyl)butanoate
- gamma-butyrobetaine
- JHPNVNIEXXLNTR-UHFFFAOYSA-N
- 3-Carboxy-N,N,N-trimethyl-1-propanaminium hydroxide inner salt
- CHEBI:16244
- 3-Dehydroxycarnitine
- GAMMA-BUTYROBETAINE [WHO-DD]
- 4-trimethylammoniobutanoic acid
- Q27073962
- UNII-HD7GI3HY9Q
- 407-64-7
- STL453117
- HY-113270
- CS-0059474
-
- Inchi： 1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3
- InChI Key： JHPNVNIEXXLNTR-UHFFFAOYSA-N
- SMILES： [O-]C(CCC[N+](C)(C)C)=O
Computed Properties
- Exact Mass: 145.110279
- Monoisotopic Mass: 145.110279
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 110
- 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: 40.1
- XLogP3: 0.8
Experimental Properties
- Color/Form: Powder
- Boiling Point: °Cat760mmHg
- Flash Point: °C
(4-hydroxy-4-oxobutyl)-trimethylazanium Related Literature
-
Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
-
Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
407-64-7 ((4-hydroxy-4-oxobutyl)-trimethylazanium) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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