tert-Butyl 3-(aminomethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine-8-carboxylate CAS 1251000-46-0
| CAS No. | 1251000-46-0 |
| Molecular Formula | C12H21N5O2 |
| Molecular Weight | 267.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
tert-Butyl 3-(aminomethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine-8-carboxylate (CAS 1251000-46-0) is a high-purity analytical reference standard with the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol.
Owing to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage, tert-Butyl 3-(aminomethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine-8-carboxylate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 267.33 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
Physical & Chemical Properties
| Molecular Formula | C12H21N5O2 |
| Molecular Weight | 267.33 g/mol |
| Appearance | Off-white to pale 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Nitrogen Atoms | 5 |
Recommended Standards
- 3-Aminomethyl-7,8-dihydro-4h,6h-1,2,5,8a-tetraaza-azulene-5-carboxylic acid tert-butyl ester (CAS 1251000-38-0)
- 3-Butyl-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one (CAS 1255785-88-6)
- (R)-3-Azido-1-phenyl-1-(2-methylphenoxy)propane (CAS 1217813-19-8)
- 2-((4-Morpholino-6-propyl-1,3,5-triazin-2-yl)amino)ethanol (CAS 127390-77-6)
- 3-(Benzo[b]thiophen-3-yl)isoxazol-5-amine (CAS 1248048-16-9)
- 3,3-Difluorotetrahydro-2H-pyran-4-amine (CAS 2244040-18-2)
- Manganese(II) phosphate (CAS 14154-09-7)
- [1-(methylamino)-4-phenylcyclohexyl]methanol (CAS 1179194-19-4)
- 6-fluoro-3-hydroxypyridine-2-carbonitrile (CAS 727736-71-2)
- 4-Butyl-5-propyl-4h-1,2,4-triazole-3-thiol (CAS 1038359-91-9)
- 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoic acid (CAS 926198-81-4)
- (2-Methoxyphenyl)(quinolin-3-yl)methanone (CAS 1182973-82-5)
- (2S,3S,4S,5R,6R)-3,4,5-tris(benzyloxy)-2-(bromomethyl)-6-methoxytetrahydro-2H-pyran (CAS 73111-12-3)
- Peptide 434 (CAS CATO-CPTD788434)
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