-
Name
6-Methoxyharmalan
- EINECS
- CAS No. 3589-73-9
- Article Data2
- CAS DataBase
- Density 1.25g/cm3
- Solubility
- Melting Point 208 - 209oC
- Formula C13H14 N2 O
- Boiling Point 417.7°Cat760mmHg
- Molecular Weight 214.267
- Flash Point 206.4°C
- Transport Information
- Appearance Yellow crystalline solid.
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 6-Methoxy-1-methyl-3,4-dihydro-b-carboline; 6-Methoxyharmalan;6-Methoxyharmalane
- PSA 37.38000
- LogP 1.97720
6-Methoxyharmalan Chemical Properties
Molecular Structure of 6-Methoxyharmalan (CAS No.3589-73-9):
Molecular Formula: C13H14N2O
Molecular Weight: 214.2631
CAS No: 3589-73-9
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 37.38 Å2
Index of Refraction: 1.647
Molar Refractivity: 61.935 cm3
Molar Volume: 170.513 cm3
Surface Tension: 42.57 dyne/cm
Density: 1.257 g/cm3
Flash Point: 190.963 °C
Enthalpy of Vaporization: 61.678 kJ/mol
Boiling Point: 392.145 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
InChI: InChI=1/C13H14N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7,15H,5-6H2,1-2H3
InChIKey: HMBHRMFLDKKSCT-UHFFFAOYAB
Std. InChI: InChI=1S/C13H14N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7,15H,5-6H2,1-2H3
Std. InChIKey: HMBHRMFLDKKSCT-UHFFFAOYSA-N
IUPAC Name: 6-Methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole
Classification Code: Drug / Therapeutic Agent
Product Categories: Pharmaceutical Raw Materials;Heterocyclic Compounds
6-Methoxyharmalan Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 10500ug/kg (10.5mg/kg) | Pharmaceutical Chemistry Journal Vol. 17, Pg. 559, 1983. |
6-Methoxyharmalan Safety Profile
WGK Germany: 3
RTECS: UU9802000
6-Methoxyharmalan Specification
6-Methoxyharmalan (CAS No.3589-73-9), its synonyms are 1-Methyl-6-methoxy-3,4-dihydro-2-carboline ; 3,4-Dihydromethoxyharman ; 3H-pyrido[3,4-b]indole, 4,9-dihydro-6-methoxy-1-methyl- ; 4,9-Dihydro-6-methoxy-1-methyl-3H-pyrido[3,4-b]indole ; 6-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline ; 10-Methoxyharmalan ; 1-Methyl-6-methoxy-dihydro-beta-carboline .
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