
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 57-24-9 |
| Catalog No. | 2A-9016736 |
| Molecular Formula | C21H22N2O2 · 1/2H2SO4 |
| Molecular Weight | 383.45 |
| Purity | ≥98.0 |
| Melting Point | 284-286 ºC |
| Appearance | powder |
| EINECS | 200-477-7 |
| UN(IATA) | UN 1692 |
| PubChem ID | 329824573 |
| MDL Number | MFCD00068328 |
| SMILES | OS(O)(=O)=O.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67.O=C8C[C@@H]9OCC=C%10CN%11CC[C@@]%12%13[C@@H]%11C[C@@H]%10[C@@H]9[C@@H]%12N8c%14ccccc%13%14 |
| InChI | 1S/2C21H22N2O2.H2O4S/c2*24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;1-5(2,3)4/h2*1-5,13,16-17,19-20H,6-11H2;(H2,1,2,3,4)/t2*13-,16-,17-,19-,20-,21+;/m00./s1 |
| InChI Key | GOOCRIHPADOQAS-ZNUXJMJHSA-N |
| NACRES Code | NA.26 |
| UNSPSC | 12352210 |
| Hazard Symbols | T+;N |
| Risk Codes | R27/28;R50/53 |
| Safety Description | S36/37;S45;S60;S61 |
| MSDS | msds/16736_1_57_24_9.pdf |
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