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5-Methoxy-2-methyltryptamine

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  • Name 5-Methoxy-2-methyltryptamine
  • EINECSN/A
  • CAS No. 3143-97-3
  • Density1.143 g/cm3
  • PSAN/A
  • LogPN/A
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC12H16N2O
  • Boiling Point390.2 °C at 760 mmHg
  • Molecular Weight204.272
  • Flash Point189.8 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 3143-97-3 (5-Methoxy-2-methyltryptamine)
  • Hazard SymbolsN/A
  • SynonymsN/A

5-Methoxy-2-methyltryptamine Specification

The 5-Methoxy-2-methyltryptamine, with the CAS registry number 3143-97-3, is also known as 1H-indole-3-ethanamine, 5-methoxy-2-methyl-. Its molecular formula is C12H16N2O and its molecular weight is 204.2682. Additionally, this chemical has the systematic name 2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine.

Other characteristics of the 5-Methoxy-2-methyltryptamine can be summarised as followings: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.33; (4)ACD/LogD (pH 7.4): -0.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.4 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 63.11 cm3; (15)Molar Volume: 178.6 cm3; (16)Polarizability: 25.02×10-24cm3; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.143 g/cm3; (19)Flash Point: 189.8 °C; (20)Enthalpy of Vaporization: 63.96 kJ/mol; (21)Boiling Point: 390.2 °C at 760 mmHg; (22)Vapour Pressure: 2.7E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:  
1.SMILES: O(c1cc2c(cc1)nc(c2CCN)C)C
2.InChI: InChI=1/C12H16N2O/c1-8-10(5-6-13)11-7-9(15-2)3-4-12(11)14-8/h3-4,7,14H,5-6,13H2,1-2H3
3.InChIKey: TYAPSMFCSAKSOR-UHFFFAOYAL

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