Cas no 16630-38-9 (1-Butanaminium, 4-amino-2-hydroxy-N,N,N-trimethyl-4-oxo-)
16630-38-9 structure
Product Name:1-Butanaminium, 4-amino-2-hydroxy-N,N,N-trimethyl-4-oxo-
CAS No:16630-38-9
MF:C7H17N2O2
MW:161.222081899643
CID:95688
PubChem ID:4633873
Update Time:2025-04-18
1-Butanaminium, 4-amino-2-hydroxy-N,N,N-trimethyl-4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanaminium, 4-amino-2-hydroxy-N,N,N-trimethyl-4-oxo-
- (4-amino-2-hydroxy-4-oxobutyl)-trimethylazanium
- carnitinamide
- CHEBI:48604
- 4-amino-2-hydroxy-N,N,N-trimethyl-4-oxobutan-1-aminium
- KWIXGIMKELMNGH-UHFFFAOYSA-O
- SCHEMBL2804605
- DTXSID90405040
- Q27121284
- 16630-38-9
-
- Inchi： 1S/C7H16N2O2/c1-9(2,3)5-6(10)4-7(8)11/h6,10H,4-5H2,1-3H3,(H-,8,11)/p+1
- InChI Key： KWIXGIMKELMNGH-UHFFFAOYSA-O
- SMILES： OC(CC(N)=O)C[N+](C)(C)C
Computed Properties
- Exact Mass: 161.129002789g/mol
- Monoisotopic Mass: 161.129002789g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 140
- 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
- XLogP3: -1.5
- Topological Polar Surface Area: 63.3?2
1-Butanaminium, 4-amino-2-hydroxy-N,N,N-trimethyl-4-oxo- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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