2-Amino-2-cyanoacetamide
ACA · 2-aminocyanoacetamide · Aminocyanoacetamide · TIMTEC-BB SBB001501 · 3-Nitriloalaninamide · 2-Amino-2-cyanacetamid · 2-AMINO-2-CYANOACETAMIDE · 2-cyano-2-aminoacetamide
식별자 및 물리적 특성
| CAS No. | 6719-21-7 |
|---|---|
| 분자식 | C3H5N3O |
| 평균 분자량 | 99.09 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | -1.8 |
|---|---|
| 극성 표면적 | 92.9 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 121 |
| 녹는점 | 120-124 °C |
| 끓는 점 | 338.5±37.0 °C(Predicted) |
| 밀도 | 1.298±0.06 g/cm3(Predicted) |
| 저장 조건 | Store at <= 20°C. |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 17.05±0.50(Predicted) |
| 색상 | 베이지부터 황갈색까지 |
| 용해도 | 녹는 |
| 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 |
화학적 성질
Beige Powder
안전 및 규제
| GHS 분류 | 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%) |
| 수질 위해 등급(WGK) | WGK 1 slightly water endangering |
| 독성 | LD50 orally in Rabbit: > 2000 mg/kg |
| 관세 코드 | 2926 90 70 |
| 위험 문구(R) | 34-23-51-36-22 |
| 위험 표시 | T,Xi,Xn |
| 안전 문구(S) | 45-36/37/39-26 |
| 위험 참고 사항 | Irritant |
| 위험 등급 | Acute Tox. 4 DermalAcute Tox. 4 InhalationAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
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.
용도
2-Amino-2-cyanoacetamide is used as building block in chemical synthesis. Attributes Development Product Contact