Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,4,6-트리아미노피리미딘
2,4,6-트리아미노피리미딘 · 2,4,6-트라이아미노피리미딘 · TRIAMINOPYRIMIDINE · PYRIMIDINE-2,4,6-TRIAMINE · AKOS UB-20216 · 2,4,6-Triamino · IFLAB-BB F1918-0050 · 6-TriaMinopyriMidine
식별자 및 물리적 특성
| CAS No. | 1004-38-2 |
|---|---|
| 분자식 | C4H7N5 |
| 평균 분자량 | 125.13 g/mol |
| 단동위원소 질량 | 125.07014524 g/mol |
| SMILES | Nc1cc(N)nc(N)n1 |
| InChIKey | JTTIOYHBNXDJOD-UHFFFAOYSA-N |
| PubChem CID | 13863 |
| ChEMBL | CHEMBL571518 |
| ChEBI | CHEBI:39857 |
| EC No. | 213-720-7 |
| DTXSID | DTXSID3061394 |
| 현지명 | 2,4,6-트리아미노피리미딘 |
화학 및 물리적 성질
| XLogP | -0.8 |
|---|---|
| 극성 표면적 | 104 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 85 |
| 녹는점 | 249-251 °C (lit.) |
| 끓는 점 | 222.58°C (rough estimate) |
| 밀도 | 1.2938 (rough estimate) |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.7100 (estimate) |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 용해도 | DMSO(Sparingly),Methanol(Slightly) |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 6.84(at 20℃) |
| 색상 | 미색부터 베이지까지 |
| 용해도 | 36.5g/L(20℃) |
| BRN | 118448 |
| InChI | 1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9) |
| InChIKey | JTTIOYHBNXDJOD-UHFFFAOYSA-N |
| SMILES | Nc1cc(N)nc(N)n1 |
| LogP(분배 계수) | -1.95 at 25℃ |
| EPA | 2,4,6-Pyrimidinetriamine (1004-38-2) |
화학적 성질
OFF-WHITE TO BEIGE POWDER
안전 및 규제
| GHS 분류 | WarningH315 (30%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (30%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (29.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (70%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 150 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Status: Active Update: 23-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26919 |
| Hazard Classes and Categories | Skin Irrit. 2 (30%)Eye Irrit. 2 (30%)STOT SE 3 (29.3%)Aquatic Chronic 3 (70%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29335990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36-37/39 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
2,4,6-Triaminopyrimidine is an organic cation used to block paracellular conductance pathways of several epithelia in the rat kidney, ultimately affecting sodium and potassium excretion.