Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((2-methyl-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)
1-Amino-4-[[3-[[4-chloro-6-[(2-methyl-4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid trisodium salt · trisodium 1-amino-4-[[3-[[4-chloro-6-[(2-methyl-4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate · 2-Anthracenesulfonicacid,1-amino-4-[[3-[[4-chloro-6-[(2-methyl-4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-,sodium salt (1:3)
식별자 및 물리적 특성
| CAS No. | 72829-24-4 |
|---|---|
| 분자식 | C30H19ClN7Na3O11S3 |
| 평균 분자량 | 854.1 g/mol |
| 단동위원소 질량 | 852.9686285 g/mol |
| SMILES | Cc1cc(S(=O)(=O)[O-])ccc1Nc1nc(Cl)nc(Nc2cc(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)ccc2S(=O)(=O)[O-])n1.[Na+].[Na+].[Na+] |
| InChIKey | GDGCDFSPBXJJSF-UHFFFAOYSA-K |
| PubChem CID | 175196 |
| EC No. | 276-910-9 |
| DTXSID | DTXSID80890123 |
화학 및 물리적 성질
| 극성 표면적 | 332 |
|---|---|
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 18 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 55 |
| 형식 전하 | 0 |
| 복잡도 | 1,640 |
| EPA | 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(2-methyl-4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, trisodium salt (72829-24-4) |
안전 및 규제
| TSCA 등재 상태 | TSCA listed |
|---|