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1H-Indole-3-carbonitrile,2-methyl-

  • Name 1H-Indole-3-carbonitrile,2-methyl-
  • EINECSN/A
  • CAS No. 51072-83-4
  • Density1.2 g/cm3
  • PSA39.58000
  • LogP2.34798
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC10H8N2
  • Boiling Point355 °C at 760 mmHg
  • Molecular Weight156.18
  • Flash Point123.1 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 51072-83-4 (3-CYANO-2-METHYLINDOLE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data32

1H-Indole-3-carbonitrile,2-methyl- Specification

The 1H-Indole-3-carbonitrile,2-methyl-, with the CAS registry number 51072-83-4, is also known as 3-Cyano-2-methylindole. It belongs to the product category of Indole. This chemical's molecular formula is C10H8N2 and molecular weight is 156.18. What's more, its IUPAC name is 2-methyl-1H-indole-3-carbonitrile.

Physical properties of 1H-Indole-3-carbonitrile,2-methyl- are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.24; (6)ACD/BCF (pH 7.4): 76.24; (7)ACD/KOC (pH 5.5): 774.25; (8)ACD/KOC (pH 7.4): 774.25; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.72 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 47.42 cm3; (15)Molar Volume: 129.9 cm3; (16)Polarizability: 18.8×10-24cm3; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 123.1 °C; (20)Enthalpy of Vaporization: 60.02 kJ/mol; (21)Boiling Point: 355 °C at 760 mmHg; (22)Vapour Pressure: 3.21E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2c1ccccc1nc2C
(2)Std. InChI: InChI=1S/C10H8N2/c1-7-9(6-11)8-4-2-3-5-10(8)12-7/h2-5,12H,1H3
(3)Std. InChIKey: ZFFATLKERBHVHQ-UHFFFAOYSA-N

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