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3,4-Dihydroisoquinoline

  • Name 3,4-Dihydroisoquinoline
  • EINECS221-769-0
  • CAS No. 3230-65-7
  • Density1.05 g/cm3
  • PSA12.36000
  • LogP1.09720
  • SolubilityN/A
  • Melting Point251-254℃
  • FormulaC9H9N
  • Boiling Point241.8 °C at 760 mmHg
  • Molecular Weight131.177
  • Flash Point91.6 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-36/37-45
  • Risk Codes22-24-36/38
  • Molecular Structure
    Molecular Structure of 3230-65-7 (3,4-DIHYDROISOQUINOLINE)
  • Hazard SymbolsT
  • SynonymsT
  • Article Data108

3,4-Dihydroisoquinoline Specification

The CAS register number of Isoquinoline,3,4-dihydro- is 3230-65-7. It also can be called as G 1616 and the IUPAC name about this chemical is 3,4-dihydroisoquinoline. The molecular formula about this chemical is C9H9N and the molecular weight is 131.17.

Physical properties about Isoquinoline,3,4-dihydro- are: (1)ACD/LogP: 1.89; (2)ACD/LogD (pH 5.5): 1.43; (3)ACD/LogD (pH 7.4): 1.88; (4)ACD/BCF (pH 5.5): 5.62; (5)ACD/BCF (pH 7.4): 15.65; (6)ACD/KOC (pH 5.5): 88.92; (7)ACD/KOC (pH 7.4): 247.65; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.36Å2; (10)Index of Refraction: 1.587; (11)Molar Refractivity: 41.97 cm3; (12)Molar Volume: 124.8 cm3; (13)Polarizability: 16.64x10-24cm3; (14)Surface Tension: 38.9 dyne/cm; (15)Flash Point: 91.6 °C; (16)Enthalpy of Vaporization: 45.93 kJ/mol; (17)Boiling Point: 241.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0548 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N\2=C\c1c(cccc1)CC/2
(2)InChI: InChI=1/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,7H,5-6H2
(3)InChIKey: NKSZCPBUWGZONP-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,7H,5-6H2
(5)Std. InChIKey: NKSZCPBUWGZONP-UHFFFAOYSA-N

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