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3589-73-9

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Basic Information
CAS No.: 3589-73-9
Name: 6-Methoxyharmalan
Article Data: 2
Molecular Structure:
Molecular Structure of 3589-73-9 (6-Methoxyharmalan)
Formula: C13H14 N2 O
Molecular Weight: 214.267
Synonyms: 6-Methoxy-1-methyl-3,4-dihydro-b-carboline; 6-Methoxyharmalan;6-Methoxyharmalane
Density: 1.25g/cm3
Melting Point: 208 - 209oC
Boiling Point: 417.7°Cat760mmHg
Flash Point: 206.4°C
Appearance: Yellow crystalline solid.
PSA: 37.38000
LogP: 1.97720
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Chemistry

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

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.

Safety Profile

WGK Germany: 3
RTECS: UU9802000

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 .