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1-Methyl-1H-indole-4-carbaldehyde

  • Name 1-Methyl-1H-indole-4-carbaldehyde
  • EINECSN/A
  • CAS No. 133994-99-7
  • Density1.108 g/cm3
  • PSA22.00000
  • LogP1.99080
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC10H9NO
  • Boiling Point318.671 °C at 760 mmHg
  • Molecular Weight159.188
  • Flash Point146.527 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-39
  • Risk Codes22-37/38-41
  • Molecular Structure
    Molecular Structure of 133994-99-7 (1-Methyl-1H-indole-4-carbaldehyde)
  • Hazard SymbolsXn
  • SynonymsXn
  • Article Data14

1-Methyl-1H-indole-4-carbaldehyde Specification

This chemical's CAS registry number is 133994-99-7 and it also known as 1-Methylindole-4-carbaldehyde. It belongs to the product category of Aldehyde. This chemical's molecular formula is C10H9NO and molecular weight is 159.1846. What's more, its systematic name is called 1-Methyl-1H-indole-4-carbaldehyde.

Physical properties about 1-Methyl-1h-indole-4-carbaldehyde are: (1)ACD/LogP: 1.76; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 18; (6)ACD/BCF (pH 7.4): 18; (7)ACD/KOC (pH 5.5): 278; (8)ACD/KOC (pH 7.4): 278; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 48.153 cm3; (15)Molar Volume: 143.63 cm3; (16)Polarizability: 19.089×10-24 cm3; (17)Surface Tension: 40.853 dyne/cm; (18)Density: 1.108 g/cm3; (19)Flash Point: 146.527 °C; (20)Enthalpy of Vaporization: 56.019 kJ/mol; (21)Boiling Point: 318.671 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2cccc1c2ccn1C
(2) InChI: InChI=1/C10H9NO/c1-11-6-5-9-8(7-12)3-2-4-10(9)11/h2-7H,1H3
(3) InChIKey: GFTNSZIYQMJJMD-UHFFFAOYAM

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