1-(4-Isothiocyanatobenzyl)ethylenediamine-n,n,n,n-tetraaceticacid CAS 105394-74-9
| CAS No. | 105394-74-9 |
| Molecular Formula | C18H21N3O8S |
| Molecular Weight | 439.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-(4-Isothiocyanatobenzyl)ethylenediamine-n,n,n,n-tetraaceticacid.
1-(4-Isothiocyanatobenzyl)ethylenediamine-n,n,n,n-tetraaceticacid (CAS 105394-74-9), molecular formula C18H21N3O8S and molecular weight 439.44 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, 1-(4-Isothiocyanatobenzyl)ethylenediamine-n,n,n,n-tetraaceticacid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 439.44 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.
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 | C18H21N3O8S |
| Molecular Weight | 439.44 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Isothiocyanatobenzyl Standards
- (S)-2,2',2''-(5-(4-Isothiocyanatobenzyl)-1-oxa-4,7,10-triazacyclododecane-4,7,10-triyl)triacetic acid (CAS 1370442-99-1)
- (S)-2,2',2''-(4-(4-Isothiocyanatobenzyl)-3,6,9-triaza-1(2,6)-pyridinacyclodecaphane-3,6,9-triyl)triacetic acid (CAS 949147-44-8)
- 1-(4-Isothiocyanatobenzyl)-1H-1,2,4-triazole (CAS 887405-48-3)
- (S)-2,2',2'',2'''-(2-(4-isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetamide hydrochloride (CAS 2780352-89-6（free base）)
Recommended Standards
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- (R)-N,N-dimethylpiperidin-3-amine (CAS 1061682-81-2)
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- 2-Propenoic acid, butyl ester, polymer with ethenylmethylbenzene (CAS 58593-17-2)
- Benzyl (1-aminocyclopropane-1-carbonyl)carbamate (CAS 108056-97-9)
- 5-Bromo-2,3-dihydro-7-iodo-1,4-dioxino[2,3-c]pyridine (CAS 2757008-36-7)
- 4-Butylbenzothioamide (CAS 1208077-46-6)
- 3-[methyl(phenyl)sulfamoyl]benzoic acid (CAS 325721-26-4)
- CGMP Dependent Kinase Inhibitor Peptide (CAS 82801-73-8)
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