2-Amino-2-cyanacetamid
ACA · 2-aminocyanoacetamide · Aminocyanoacetamide · TIMTEC-BB SBB001501 · 3-Nitriloalaninamide · 2-Amino-2-cyanacetamid · 2-AMINO-2-CYANOACETAMIDE · 2-cyano-2-aminoacetamide
Identifikatoren & physikalische Daten
| CAS No. | 6719-21-7 |
|---|---|
| Summenformel | C3H5N3O |
| Durchschnittliche Molmasse | 99,09 g/mol |
| Monoisotopische Masse | 99,04326178 g/mol |
| SMILES | N#CC(N)C(N)=O |
| InChIKey | JRWAUKYINYWSTA-UHFFFAOYSA-N |
| PubChem CID | 98341 |
| EC No. | 229-771-3 |
| DTXSID | DTXSID101313188 |
| Lokaler Name | 2-Amino-2-cyanacetamid |
Chemische & physikalische Eigenschaften
| XLogP | -1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 92,9 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 121 |
| Schmelzpunkt | 120-124 °C |
| Siedepunkt | 338.5±37.0 °C(Predicted) |
| Dichte | 1.298±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at <= 20°C. |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 17.05±0.50(Predicted) |
| Farbe | Beige to tan |
| Löslichkeit | soluble |
| InChI | InChI=1S/C3H5N3O/c4-1-2(5)3(6)7/h2H,5H2,(H2,6,7) |
| InChIKey | JRWAUKYINYWSTA-UHFFFAOYSA-N |
| SMILES | C(N)(=O)C(N)C#N |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (88.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (88.4%) |
| Wassergefährdungsklasse (WGK) | WGK 1 slightly water endangering |
| Zollcode | 2926 90 70 |
| R-Sätze (R) | 34-23-51-36-22 |
| Toxizität | LD50 orally in Rabbit: > 2000 mg/kg |
| Gefahrensymbole | T,Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 45-36/37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
2-Amino-2-cyanoacetamide, a purine derivative with a diatomic molecule, has been shown to inhibit cancer cells in animals. It has been shown to inhibit the replication of plague virus, an RNA virus that causes encephalitis and other diseases in humans. The nitrogen atom on the molecule is responsible for its transport properties, including intestinal uptake and the ability to cross the blood-brain barrier.2-Amino-2-cyanoacetamide also inhibits the activity of amide hydrolase, an enzyme responsible for the hydrolysis of peptides into amino acids. This process results in reduced protein synthesis, which leads to cell death.
Verwenden
2-Amino-2-cyanoacetamide is used as building block in chemical synthesis. Attributes Development Product Contact