HARMALINE CAS 304-21-2
Introduction：Basic information about HARMALINE CAS 304-21-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
HARMALINE Basic information
| Product Name: | HARMALINE |
| Synonyms: | 1-METHYL-7-METHOXY-3,4-DIHYDRO-BETA-CARBOLINE;TIMTEC-BB SBB003407;1-Methyl-7-methoxy-3,4-dihydroxy-beta-carboline;1-methyl-7-methoxy-3,4-dihydro-β-carboline;HARMALINE(EXTRACTFORMPEGANUMHARMALAROOTS);3,4-Dihydro-7-methoxy-1-methyl-beta-carboline3,4-Dihydro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indoleDihydroharmine;NSC 407285;PYRIDE(3,4-B)INDOLE,4,9-DIHYDRO-7-METHOXY-1-METHYL- |
| CAS: | 304-21-2 |
| MF: | C13H14N2O |
| MW: | 214.26 |
| EINECS: | 206-152-6 |
| Product Categories: | Inhibitors;Indoles and derivatives;Heterocyclic Compounds |
| Mol File: | 304-21-2.mol |
HARMALINE 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 |
| Water Solubility | Slightly soluble in water |
| 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 |
| pka | 4.2(at 25℃) |
| form | powder |
| color | Light orange to Yellow to Green |
| Merck | 14,4613 |
| 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) |
| EPA Substance Registry System | 3H-Pyrido[3,4-b]indole, 4,9-dihydro-7-methoxy-1-methyl- (304-21-2) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 25-20/21/22 |
| Safety Statements | 22-24/25-36 |
| 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) |
| Uses | CNS stimulant, antiparkinsonian agent |
| Uses | CNS stimulant; may act through NMDA receptors. Reversible inhibitor of MAO-A |
| Definition | ChEBI: A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond. |
| Synthesis Reference(s) | Canadian Journal of Chemistry, 37, p. 1851, 1959 DOI: 10.1139/v59-272 |
| Biological Activity | CNS stimulant; may act through NMDA receptors |
| Purification Methods | Recrystallise harmaline from MeOH and sublime it at high vacuum. It has UV in MeOH a |
HARMALINE Preparation Products And Raw materials
| Raw materials | N-ACETYL-6-METHOXYTRYPTAMINE-->BANISTERINE MONOHYDRATE-->3-(2-Aminoethyl)-6-methoxyindole-->Hydrazine hydrate-->Ethanol-->Carbon tetrachloride |
| Preparation Products | HYDROGEN CYANIDE-->HARMOL |
