Methyl (1-benzylpiperidin-4-ylidene)(cyano)acetate hydrochloride CAS 1987359-06-7
| CAS No. | 1987359-06-7 |
| Molecular Formula | C16H18N2O2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl (1-benzylpiperidin-4-ylidene)(cyano)acetate hydrochloride (CAS 1987359-06-7) is a high-purity analytical reference standard with the molecular formula C16H18N2O2HCl and a molecular weight of 306.79 g/mol.
The molecular framework of Methyl (1-benzylpiperidin-4-ylidene)(cyano)acetate hydrochloride (C16H18N2O2HCl) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C16H18N2O2 HCl |
| Molecular Weight | 306.79 g/mol |
| Appearance | Pale yellow to 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Methyl Standards
- 1-(1-Benzylpiperidin-3-yl)-N-methylmethanamine (CAS 1017400-36-0)
- 3-(1-benzylpiperidin-4-yl)-1H-indole (CAS 101832-90-0)
- 3-(1-Benzylpiperidin-4-yl)pyridine (CAS 1018826-73-7)
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- 4-((1-Benzylpiperidin-4-yl)amino)-2-(methylthio)pyrimidine-5-carboxylic acid (CAS 1033194-54-5)
- N-(1-benzylpiperidin-4-yl)-4-chlorobenzamide (CAS 1044-79-7)
- 2-(1-Benzylpiperidin-4-yl)-1,3,4-oxadiazole (CAS 1046079-80-4)
- 1-Benzylpiperidin-3-ol hydrochloride (CAS 105973-51-1)
Recommended Standards
- Ethyl 5-bromo-3-cyano-2-(difluoromethyl)benzoate (CAS 1805593-97-8)
- (2S)-2-(4-(2-(2,4-Diamino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid (CAS 149325-93-9)
- 1-Bromo-2-(3-chloropropoxy)benzene (CAS 64010-39-5)
- Benzyl methyl(3-oxobutyl)carbamate (CAS 462647-79-6)
- (3R,4R)-1-benzyl-4-methylpyrrolidin-3-ol (CAS 137172-63-5)
- 5-Bromo-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline (CAS 1203684-57-4)
- 1,6-Dimethyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile (CAS 634583-90-7)
- Methyl 4-(Bromomethyl)phenylacetate (CAS 7398-42-7)
- 2,6-Dichloro-N1-(3-(dimethylamino)propyl)benzene-1,4-diamine (CAS 1693685-57-2)
- Tirzepatide Impurity 52 (CAS CATO-C4X-324052)
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