304-21-2
| Name | HARMALINE |
| CAS | 304-21-2 |
| EINECS(EC#) | 206-152-6 |
| Molecular Formula | C13H14N2O |
| MDL Number | MFCD00004955 |
| Molecular Weight | 214.26 |
| MOL File | 304-21-2.mol |
Chemical Properties
| Melting point | 232-234 °C(lit.) |
| alpha | ±0° |
| Boiling point | 354.4°C (rough estimate) |
| density | 1.0850 (rough estimate) |
| refractive index | 1.6450 (estimate) |
| storage temp. | -10 to -25°C |
| solubility | DMF: 1.4 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 0.25 mg/ml; Ethanol: 0.5 mg/ml |
| Water Solubility | Slightly soluble in water |
| form | powder |
| pka | 4.2(at 25℃) |
| color | Light orange to Yellow to Green |
| Merck | 4613 |
| BRN | 207310 |
| InChI | 1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3 |
| InChIKey | RERZNCLIYCABFS-UHFFFAOYSA-N |
| SMILES | COc1ccc2c3CCN=C(C)c3[nH]c2c1 |
| LogP | 2.251 (est) |
| CAS DataBase Reference | 304-21-2(CAS DataBase Reference) |
| NIST Chemistry Reference | Harmaline(304-21-2) |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 1544 |
| WGK Germany | 3 |
| RTECS | UU9800000 |
| HS Code | 2939.80.0000 |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1 |
| Hazardous Substances Data | 304-21-2(Hazardous Substances Data) |