1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, iodide CAS 68957-58-4
| CAS No. | 68957-58-4 |
| Molecular Formula | C12H16F13N2O2S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, iodide (C12H16F13N2O2SI) is characterized by an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/iodine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies 1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, iodide (CAS 68957-58-4), a certified reference material (molecular formula C12H16F13N2O2SI, MW 626.21 g/mol) for analytical method development and quality control.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C12H16F13N2O2S I |
| Molecular Weight | 626.21 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | -1.0 |
| CAS Registry Year (est.) | 1976 |
| Halogen Content | F/I-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Propanaminium Standards
- 1-Propanaminium, N-(3-aminopropyl)-N,N-dimethyl-2,3-bis[(9Z)-9-tetradecenyloxy]-, bromide, mixt. with (1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl bis(3,7,11,15-tetramethylhexadecanoate) (CAS 370108-99-9)
- 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-, chloride , polymer with 2-propenoic acid (CAS 49720-59-4)
- 1-Propanaminium, N,N,N-trimethyl-3-[(1-oxohexadecyl)amino]-, chloride (CAS 51277-96-4)
- 1-Propanaminium, N,N,N-trimethyl-3-[(1-oxo-2-propen-1-yl)amino]-, chloride , polymer with diethenylbenzene (CAS 65405-47-2)
- 1-Propanaminium, N,N,N-trimethyl-3-[(2-methyl-1-oxo-2-propenyl)amino]-, chloride, homopolymer (CAS 68039-13-4)
- 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-, chloride , polymer with ethyl 2-propenoate and methyl 2-methyl-2-propenoate (CAS 68239-32-7)
- 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride , reaction products with epichlorohydrin-1H-imidazole polymer (CAS 68611-35-8)
- 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride , reaction products with polyethylenimine (CAS 68611-36-9)
Recommended Standards
- 4-((tert-Butoxycarbonyl)amino)cyclohex-1-en-1-yl trifluoromethanesulfonate (CAS 849069-49-4)
- 5-Methoxy-6-(4-methyl-1H-imidazol-1-yl)pyridin-3-amine (CAS 1079178-13-4)
- 3-Hydroxy-2-methyl-2H-pyrazolo[4,3-d]pyrimidine-7(4H)-thione (CAS 100565-58-0)
- (S)-2-((tert-Butoxycarbonyl)(methyl)amino)-2-cyclopropylacetic acid (CAS 1202452-81-0)
- 2-((5-Formyl-2-methoxybenzyl)thio)nicotinic acid (CAS 452088-31-2)
- Isoamyl Phenylacetate (CAS 102-19-2)
- (5-(1-Methyl-1H-pyrazol-4-yl)pyridin-3-yl)methanamine (CAS 1501887-01-9)
- Ethyl 2-(3-chloropropanamido)benzoate (CAS 55301-53-6)
- Flurofamide (CAS 70788-28-2)
- Cholecystokinin Octapeptide (desulfated) (H-2070.0005) (CAS 198483-36-2)
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