tert-Butyl 3-(cyanomethyl)-1H-indole-1-carboxylate CAS 218772-62-4
| CAS No. | 218772-62-4 |
| Molecular Formula | C15H16N2O2 |
| Molecular Weight | 256.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
tert-Butyl 3-(cyanomethyl)-1H-indole-1-carboxylate (CAS 218772-62-4), molecular formula C15H16N2O2 and molecular weight 256.30 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, tert-Butyl 3-(cyanomethyl)-1H-indole-1-carboxylate (C15H16N2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 256.30 g/mol, it falls into the medium-molecular-weight range. 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 manufactures tert-Butyl 3-(cyanomethyl)-1H-indole-1-carboxylate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C15H16N2O2 |
| Molecular Weight | 256.30 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| 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 |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2019 |
| Nitrogen Atoms | 2 |
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Why CATO?
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