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2-Iodacetamid
IODOACETAMIDE · IAM · IODACETAMIDE · Surauto · usafd-1 · USAF d-1 · 2-Iodacetamid · Iodoethanamide
Identifikatoren & physikalische Daten
| CAS No. | 144-48-9 |
|---|---|
| Summenformel | C2H4INO |
| Durchschnittliche Molmasse | 184,96 g/mol |
| Monoisotopische Masse | 184,93376175 g/mol |
| SMILES | NC(=O)CI |
| InChIKey | PGLTVOMIXTUURA-UHFFFAOYSA-N |
| PubChem CID | 3727 |
| ChEMBL | CHEMBL276727 |
| EC No. | 205-630-1 |
| DTXSID | DTXSID9020742 |
| Lokaler Name | 2-Iodacetamid |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 44,9 |
| Stoffklassen | Nitrogen Compounds -> Other Nitrogen Compounds |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (Verteilungskoeffizient) | -0.19 |
| Dampfdruck | 0.00506 [mmHg] |
| Physical Description | Crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 92-95 °C(lit.) |
| Siedepunkt | 297.1±23.0 °C(Predicted) |
| Dichte | 2.1103 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in water, dimethyl formamide and ethanol. Slightly soluble in methanol.H2O: 0.5M at 20°C, clear, colorless |
| Aggregatzustand | crystalline |
| pKa (Säurekonstante) | 15.16±0.40(Predicted) |
| Farbe | White to pale yellow or beige |
| Biologische Quelle | synthetic (organic) |
| BRN | 1739080 |
| Stabilität | Stable, but light sensitive. Incompatible with strong oxidizing agents, strong bases, reducing agents, acids. |
| InChI | 1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5) |
| InChIKey | PGLTVOMIXTUURA-UHFFFAOYSA-N |
| SMILES | NC(=O)CI |
| CAS Datenbank | 144-48-9(CAS DataBase Reference) |
| NIST chemische Informationen | Alpha-iodo acetamide(144-48-9) |
| EPA chemische Informationen | 2-Iodoacetamide (144-48-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (99%): Toxic if swallowed [Danger Acute toxicity, oral]P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P304+P340, P321, P330, P333+P317, P342+P316, P362+P364, P403, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 192 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Acetamide, 2-iodo-2-Iodoacetamide: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes ulceration or bleeding from the stomach and other GI changes in 74-week intermittent oral studies of rats[RTECS] May cause irritationMay cause skin and respiratory sensitizationToxic by ingestion[Sigma-Aldrich MSDS] See Chloroacetamide. |
| Hazard Classes and Categories | Acute Tox. 3 (99%) |
| Unerwünschte Wirkungen | Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| F | 8-10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29241900 |
| RTECS-Nr. | AC4200000 |
| R-Sätze (R) | 25-42/43-43-36/37/38-53 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 22-36/37-45-37/39-26-24 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralAquatic Chronic 4Resp. Sens. 1Skin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
2-Iodoacetamide is an alkylating reagent for cysteine residues in peptide sequencing. Its actions are similar to those of iodoacetate. By virtue of reaction with cysteine, it is an irreversible inhibitor of enzymes with cysteine at the active site. It reacts much more slowly with histidine residues, but that activity is responsible for inhibition of ribonuclease.