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1,1,7,7-Tetramethyljulolidine

  • Name 1,1,7,7-Tetramethyljulolidine
  • EINECSN/A
  • CAS No. 325722-28-9
  • Density1.02 g/cm3
  • PSA3.24000
  • LogP3.92060
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC16H23N
  • Boiling Point303 °C at 760 mmHg
  • Molecular Weight229.36
  • Flash Point125 °C
  • Transport InformationN/A
  • AppearanceWhite Crystals
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 325722-28-9 (1,1,7,7-TETRAMETHYL-2,3,6,7-TETRAHYDRO-1H,5H-PYRIDO[3,2,1-IJ] QUINOLINE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data2

1,1,7,7-Tetramethyljulolidine Specification

The CAS register number of 1,1,7,7-Tetramethyljulolidine is 325722-28-9. The systematic name about this chemical is 1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline. The molecular formula about this chemical is C16H23N and the molecular weight is 229.36. It belongs to the Quinoline & Isoquinoline.

Physical properties about 1,1,7,7-Tetramethyljulolidine are: (1)ACD/LogP: 5.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.14; (4)ACD/LogD (pH 7.4): 5.25; (5)ACD/BCF (pH 5.5): 426.87; (6)ACD/BCF (pH 7.4): 5497.52; (7)ACD/KOC (pH 5.5): 1223.52; (8)ACD/KOC (pH 7.4): 15757.28; (9)#H bond acceptors: 1;  (11)Index of Refraction: 1.566; (12)Molar Refractivity: 72.85 cm3; (13)Molar Volume: 223 cm3; (14)Polarizability: 28.88X10-24cm3; (15)Surface Tension: 39.8 dyne/cm; (16)Enthalpy of Vaporization: 54.32 kJ/mol; (17)Boiling Point: 303 °C at 760 mmHg; (18)Vapour Pressure: 0.000958 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c13c2c(ccc1)C(CCN2CCC3(C)C)(C)C
(2)InChI: InChI=1/C16H23N/c1-15(2)8-10-17-11-9-16(3,4)13-7-5-6-12(15)14(13)17/h5-7H,8-11H2,1-4H3
(3)InChIKey: MZKXTXKVGSAPEG-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C16H23N/c1-15(2)8-10-17-11-9-16(3,4)13-7-5-6-12(15)14(13)17/h5-7H,8-11H2,1-4H3
(5)Std. InChIKey: MZKXTXKVGSAPEG-UHFFFAOYSA-N

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