486-86-2
| Name | Caulophylline |
| CAS | 486-86-2 |
| EINECS(EC#) | 207-643-8 |
| Molecular Formula | C12H16N2O |
| MDL Number | MFCD00211091 |
| Molecular Weight | 204.27 |
| MOL File | 486-86-2.mol |
Chemical Properties
| Appearance | Colourless Needles |
| Melting point | 137-139oC |
| alpha | 30D -224° (c = 1.05 in water) |
| Boiling point | 342.77°C (rough estimate) |
| density | 1.0565 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| storage temp. | -20?C Freezer, Under Inert Atmosphere |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| form | powder |
| pka | 9.61±0.20(Predicted) |
| color | White to Off-White |
| InChI | InChI=1S/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3/t9-,10+/m0/s1 |
| InChIKey | CULUKMPMGVXCEI-VHSXEESVSA-N |
| SMILES | N12C(=O)C=CC=C1[C@]1([H])C[C@]([H])(C2)CN(C)C1 |
| NIST Chemistry Reference | Caulophylline(486-86-2) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302+H312+H332 |
| Precautionary statements | P261-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312 |
| Hazard Codes | Xn |
| Risk Statements | |
| WGK Germany | 3 |
| RTECS | HA4400000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral |
| Toxicity |