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| CAS No.: | 304-21-2 |
|---|---|
| Name: | HARMALINE |
| Article Data: | 9 |
| Molecular Structure: | |
|
|
|
| Formula: | C13H14N2O |
| Molecular Weight: | 214.267 |
| Synonyms: | Harmaline(6CI);Harmidine (7CI);1-Methyl-7-methoxy-3,4-dihydro-b-carboline;3,4-Dihydro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;3,4-Dihydroharmine;NSC407285; |
| EINECS: | 206-152-6 |
| Density: | 1.257 g/cm3 |
| Melting Point: | 232-234 °C |
| Boiling Point: | 426.415 °C at 760 mmHg |
| Flash Point: | 211.688 °C |
| Solubility: | Slightly soluble in water |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 25-20/21/22 |
| Safety: | 22-24/25-36 |
| Transport Information: | UN 1544 |
| PSA: | 37.38000 |
| LogP: | 1.97720 |
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Specification
The Harmaline with the CAS number 304-21-2 is also called 1-Methyl-7-methoxy-3,4-dihydro-b-carboline. The systematic name is 3H-Pyrido(3,4-b)indole, 4,9-dihydro-7-methoxy-1-methyl-. Its EINECS registry number is 206-152-6. The molecular formula is C13H14N2O. This chemical belongs to the following product categories: (1)Indoles and derivatives; (2)Heterocyclic Compound.
Uses: This chemical can react with acetic acid anhydride to prepare 2-acetyl-7-methoxy-1-methylene-2,3,4,9-tetrahydro-1H-b-carboline. This reaction needs reagent CH3COONa at temperature of 28 - 30 °C. The reaction time is 45 min. The yield is 80%.
While using this chemical, you should be very cautious. This chemical is toxic if swallowed and harmful by inhalation, in contact with skin and if swallowed. Therefore, you should take the following instructions. Firstly you should not breathe dust. Then you should wear suitable protective clothing. Finally you should avoid this chemical contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: c12c3c([nH]c1C(=NCC2)C)cc(cc3)OC
(2)InChI: 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
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 120mg/kg (120mg/kg) | Psychopharmacology Service Center, Bulletin. Vol. 2, Pg. 17, 1963. | |
| rabbit | LDLo | intravenous | 20mg/kg (20mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: EXCITEMENT BEHAVIORAL: ATAXIA | Neuropharmacology. Vol. 10, Pg. 15, 1971. |
| rat | LD50 | subcutaneous | 120mg/kg (120mg/kg) | Veterinary and Human Toxicology. Vol. 33, Pg. 276, 1991. |