(3E)-3-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}prop-1-ene-1,1,3-tricarbonitrile CAS 1164531-01-4
| CAS No. | 1164531-01-4 |
| Molecular Formula | C17H15ClN6 |
| Molecular Weight | 338.79 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.
(3E)-3-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}prop-1-ene-1,1,3-tricarbonitrile (CAS 1164531-01-4), molecular formula C17H15ClN6 and molecular weight 338.79 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of (3E)-3-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}prop-1-ene-1,1,3-tricarbonitrile (C17H15ClN6) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C17H15ClN6 |
| Molecular Weight | 338.79 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 6 |
Related E Standards
- (3E)-3-{amino[4-(2-chlorophenyl)piperazin-1-yl]methylidene}prop-1-ene-1,1,3-tricarbonitrile (CAS 344276-36-4)
- (3E)-3-{amino[4-(3-chlorophenyl)piperazin-1-yl]methylidene}prop-1-ene-1,1,3-tricarbonitrile (CAS 338794-96-0)
- Ethyl 2-amino-5-{[(2-chlorophenyl)amino]carbonyl}-4-methylthiophene-3-carboxylate (CAS 1159694-98-0)
- 4-Amino-N5-(4-chlorobenzyl)-N3-ethylisothiazole-3,5-dicarboxamide (CAS 1251600-00-6)
- Ethyl 2-amino-5-((4-chlorophenyl)carbamoyl)-4-methylthiophene-3-carboxylate (CAS 350989-56-9)
- Ethyl 2-amino-5-{[(4-chlorophenyl)amino]carbonyl}-4-methylthiophene-3-carboxylate (CAS 5655-15-2)
- 2-Amino-6-bromo-8-iodo-[1,2,4]triazolo[1,5-a]pyridine (CAS 1883816-46-3)
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Recommended Standards
- (R)-2-((tert-butoxycarbonyl)amino)-3-(5-chloro-1H-indol-3-yl)propanoic acid (CAS 114903-31-0)
- (R)-2-((tert-butoxycarbonyl)amino)-3-(6-chloro-1H-indol-3-yl)propanoic acid (CAS 1217738-82-3)
- L-N-Boc-5-chlorotryptophan (CAS 114873-08-4)
- 2-((Tert-butoxycarbonyl)amino)-3-(6-chloro-1H-indol-3-yl)propanoic acid (CAS 1219193-65-3)
- 2-(4-Benzylpiperazin-1-yl)-1-phenylethan-1-one hydrobromide (CAS 1173022-87-1)
- 1-(2-Methoxyethyl)piperidine-4-carbaldehyde (CAS 342435-23-8)
- 2-(2-Bromophenoxy)-N-methylethanamine (CAS 915920-44-4)
- (E)-4-((4-(N-mesitylsulfamoyl)phenyl)amino)-4-oxobut-2-enoic acid (CAS 1164468-89-6)
- 3-Bromo-5-methylthiophene-2-sulfonyl chloride (CAS 319002-81-8)
- Aluminum oleate (CAS 688-37-9)
- (6R,7aS)-7a-((Benzyloxy)methyl)-6-fluorohexahydro-3H-pyrrolizin-3-one (CAS 2757097-09-7)
- N1-(4-Bromo-3-methylphenyl)benzene-1,2-diamine (CAS 1038370-56-7)
- 5,6-Dimethyl-1,3-di-p-tolylisobenzofuran (CAS 57703-44-3)
- Semaglutide impurity 204 (CAS CATO-C4X-2226204)
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