Cas no 98299-38-8 (1-Propanaminium,3-carboxy-2-(2,2-dimethyl-1-oxopropoxy)-N,N,N-trimethyl-, inner salt)
98299-38-8 structure
Product Name:1-Propanaminium,3-carboxy-2-(2,2-dimethyl-1-oxopropoxy)-N,N,N-trimethyl-, inner salt
CAS No:98299-38-8
MF:C12H23NO4
MW:245.315324068069
CID:807541
PubChem ID:126894
Update Time:2025-04-19
1-Propanaminium,3-carboxy-2-(2,2-dimethyl-1-oxopropoxy)-N,N,N-trimethyl-, inner salt Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanaminium,3-carboxy-2-(2,2-dimethyl-1-oxopropoxy)-N,N,N-trimethyl-, inner salt
- 3-(2,2-dimethylpropanoyloxy)-4-(trimethylazaniumyl)butanoate
- pivaloylcarnitine
- CAR(3:0(Me2))
- LMFA07070103
- 98299-38-8
- SCHEMBL7032121
- 3-[(2,2-dimethylpropanoyl)oxy]-4-(trimethylazaniumyl)butanoate
- DTXSID80913341
- CHEBI:165622
- 1-Propanaminium, 3-carboxy-2-(2,2-dimethyl-1-oxopropoxy)-N,N,N-trimethyl-, hydroxide, inner salt
-
- Inchi： 1S/C12H23NO4/c1-12(2,3)11(16)17-9(7-10(14)15)8-13(4,5)6/h9H,7-8H2,1-6H3
- InChI Key： YICAQFPUDACYGQ-UHFFFAOYSA-N
- SMILES： O(C(C(C)(C)C)=O)C(CC(=O)[O-])C[N+](C)(C)C
Computed Properties
- Exact Mass: 245.162708
- Monoisotopic Mass: 245.162708
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 280
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.4
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.8
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
1-Propanaminium,3-carboxy-2-(2,2-dimethyl-1-oxopropoxy)-N,N,N-trimethyl-, inner salt Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
98299-38-8 (1-Propanaminium,3-carboxy-2-(2,2-dimethyl-1-oxopropoxy)-N,N,N-trimethyl-, inner salt) Related Products
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