2-(Isopentylamino)-5-nitrobenzonitrile CAS 945299-76-3
| CAS No. | 945299-76-3 |
| Molecular Formula | C12H15N3O2 |
| Molecular Weight | 233.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 233.27 g/mol gives 2-(Isopentylamino)-5-nitrobenzonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-(Isopentylamino)-5-nitrobenzonitrile (CAS 945299-76-3) is a high-purity analytical reference standard with the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol.
Structurally, 2-(Isopentylamino)-5-nitrobenzonitrile (C12H15N3O2) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 233.27 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.
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 | C12H15N3O2 |
| Molecular Weight | 233.27 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 3 |
Related Isopentylamino Standards
- 1-(2-(Isopentylamino)-2-oxoethyl)-1H-pyrrole-3-carboxylic acid (CAS 1515398-63-6)
- 2-(Isopentylamino)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid (CAS 100133-67-3)
- 3-(2-(Isopentylamino)ethyl)thietane 1,1-dioxide (CAS 1872749-77-3)
- 2-((Isopentylamino)methyl)-4-methylphenol (CAS 1341848-30-3)
- 3-((Isopentylamino)methyl)benzonitrile (CAS 1019571-89-1)
- 3-((Isopentylamino)methyl)phenol (CAS 1019478-70-6)
- 3-(Isopentylamino)benzonitrile (CAS 1019621-44-3)
- 5-((Isopentylamino)methyl)pyrrolidin-2-one (CAS 1344316-28-4)
Recommended Standards
- 2-(Hydroxymethyl)-6-oxo-1,6-dihydro-[3,4'-bipyridine]-5-carbonitrile (CAS 99462-32-5)
- 2,3':6',3''-Terpyridine (CAS 70650-96-3)
- 2-(5-Methoxy-2-methyl-1H-indol-3-yl)acetohydrazide (CAS 21909-54-6)
- 2,6-Di(1H-pyrrol-1-yl)benzonitrile (CAS 866043-01-8)
- 1,3-Benzothiazol-2-yl(phenyl)methanamine (CAS 1629-68-1)
- 2-methyl-4-{4H,5H,6H,7H-thieno[3,2-c]pyridin-2-yl}-1,3-thiazole (CAS 1432682-07-9)
- 2-(1-Chlorovinyl)pyridine (CAS 179418-20-3)
- 3-Amino-1-isopentylpyridin-2(1h)-one (CAS 1247215-31-1)
- (5-(tert-Butyl)-2-cyclopropoxyphenyl)methanamine (CAS 1243472-46-9)
- Cefditoren Impurity 65 (CAS CATO-C4X-135865)
- 9-Bromo-11H-benzo[a]carbazole (CAS 1374003-95-8)
- Sodium Gualenate Impurity 1 (CAS CATO-C4X-29271)
- N-Nitroso-Deferasirox EP Impurity F Trifluoroacetate (CAS CATO-C4X-143816)
- D-[Arg]30-Semaglutide (CAS CATO-C4X-222653)
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