1246819-71-5 3-(Dibutylamino)-1-propanol 1-(4-Nitrobenzoate) Hydrochloride N,N-Di-n-butyl-N-3-[4-nitrobenzoyloxy)propyl]ammonium Chloride CAS 1246819-71-5
| CAS No. | 1246819-71-5 |
| Molecular Formula | C18H28N2O4 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO supplies 1246819-71-5 3-(Dibutylamino)-1-propanol 1-(4-Nitrobenzoate) Hydrochloride N,N-Di-n-butyl-N-3-[4-nitrobenzoyloxy)propyl]ammonium Chloride (CAS 1246819-71-5), a certified reference material (molecular formula C18H28N2O4HCl, MW 372.89 g/mol) for analytical method development and quality control.
1246819-71-5 3-(Dibutylamino)-1-propanol 1-(4-Nitrobenzoate) Hydrochloride N,N-Di-n-butyl-N-3-[4-nitrobenzoyloxy)propyl]ammonium Chloride (C18H28N2O4HCl) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C18H28N2O4 HCl |
| Molecular Weight | 372.89 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
- 2-Iodo-5-methyl-3-nitropyridine (CAS 1598838-80-2)
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- N,N-Dimethyl-4-morpholino-3-nitrobenzamide (CAS 885296-15-1)
- Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridin-1(2H)-yl)acetate (CAS 1613697-85-0)
- 4-(Benzyloxy)-2-(methoxymethyl)benzoic acid (CAS 2379321-30-7)
- 1-Cyclohexyl-1-ethylthiourea (CAS 953749-41-2)
- Ornidazole Impurity 100 (CAS CATO-C4X-1331100)
- 5-Chloro-3-(thiophen-2-ylmethylene)indolin-2-one (CAS 186611-58-5)
- 4-(2,3,4-Trifluorophenyl)butan-2-one (CAS 1339205-40-1)
- Insulin Glulisine (CAS 207748-29-6)
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