ALPHA-ERGOCRYPTINE
- Product NameALPHA-ERGOCRYPTINE
- CAS511-09-1
- CBNumberCB8205993
- MFC32H41N5O5
- MW575.7
- EINECS208-121-2
- MDL NumberMFCD26143009
- MOL File511-09-1.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 152-154°C |
| alpha | D20 -120° (pyridine); -198° (chloroform) |
| Boiling point | 636.59°C (rough estimate) |
| Density | 1.1762 (rough estimate) |
| refractive index | 1.7500 (estimate) |
| storage temp. | −20°C |
| solubility | 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.3 mg/mL |
| pka | 9.61±0.60(Predicted) |
| form | Solid |
| color | Pale Yellow to Pale Beige |
| Stability | Hygroscopic |
| InChIKey | YDOTUXAWKBPQJW-YBALXUQENA-N |
| SMILES | [C@@]12(O)O[C@@](C(C)C)(NC(=O)[C@H]3CN(C4CC5=CNC6=CC=CC(=C56)C4=C3)C)C(=O)N1[C@@H](CC(C)C)C(=O)N1CCCC21 |&1:0,3,10,30,r| |
| EWG's Food Scores | 1 |
| FDA UNII | 6WFB60157B |
Safety
| Symbol(GHS) |
 
|
| Signal word | Warning |
| Hazard statements | H332-H361-H312-H302-H362 |
| Precautionary statements | P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P201-P260-P263-P264-P270-P308+P313-P201-P202-P281-P308+P313-P405-P501-P280-P302+P352-P312-P322-P363-P501 |
| Hazard Codes | Xn |
| Risk Statements | 62 |
| Safety Statements | 36/37 |
| RIDADR | UN 1544 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | KE1400000 |
| HazardClass | 6.1(b) |
| PackingGroup | III |
