1-(1-(4-Chlorophenyl)cyclobutyl)-3-(methoxymethyl)-N,N-dimethylpentan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate CAS 106081-48-5
| CAS No. | 106081-48-5 |
| Molecular Formula | C19H30ClNO |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-(1-(4-Chlorophenyl)cyclobutyl)-3-(methoxymethyl)-N,N-dimethylpentan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 1-(1-(4-Chlorophenyl)cyclobutyl)-3-(methoxymethyl)-N,N-dimethylpentan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate (CAS 106081-48-5), a certified reference material (molecular formula C19H30ClNOC6H8O7, MW 516.03 g/mol) for analytical method development and quality control.
Based on its molecular formula C19H30ClNOC6H8O7, 1-(1-(4-Chlorophenyl)cyclobutyl)-3-(methoxymethyl)-N,N-dimethylpentan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 516.03 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C19H30ClNO C6H8O7 |
| Molecular Weight | 516.03 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Chlorophenyl Standards
- 2-(2-Chlorophenyl)-2-(pyrrolidin-1-yl)acetamide (CAS 1000340-02-2)
- N-(2-Chlorophenyl)-5-methyl-1-phenyl-1H-1,2,4-triazole-3-carboxamide (CAS 1000572-01-9)
- N-(2-Chlorophenyl)-5-oxo-1-(p-tolyl)-2,5-dihydro-1H-1,2,4-triazole-3-carboxamide (CAS 1000573-94-3)
- Methyl 1-(2-chlorophenyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylate (CAS 1000576-85-1)
- 1-(4-Chlorophenyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylic acid phenylamide (CAS 1000577-01-4)
- Benzyl 1-(4-chlorophenyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylate (CAS 1000577-09-2)
- 1-(2-Chlorophenyl)-5-oxo-N-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-carboxamide (CAS 1000577-29-6)
- 2-(2-Chlorophenyl)-1-phenylethan-1-amine (CAS 1000615-44-0)
Recommended Standards
- 5-Isopropylindoline (CAS 65826-96-2)
- 1-((1-(O-tolyl)ethyl)amino)propan-2-ol (CAS 1154991-70-4)
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- 3,7-dimethyl-2-(propan-2-yl)imidazo[1,2-a]pyridine (CAS 1550404-29-9)
- 8-((4-Chlorobenzyl)thio)-7-ethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 303971-16-6)
- 5-Chloro-7-methoxy-3,4-dihydro-2H-benzo[b][1,4]oxazine (CAS 475159-46-7)
- N-Quinazolin-4-ylalanine hydrochloride (CAS 1030264-64-2)
- Bis(acetato)aqua[(S,S)-4,6-bis(4-isopropyl-2-oxazolin-2-yl)-m-xylene]rhodium (CAS 929896-28-6)
- Methanesulfonylmethyl-carbamic acid tert-butyl ester (CAS 1555965-44-0)
- Tirzepatide Impurity 43 (CAS CATO-C4X-324043)
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