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1,2,3,4-Tetrahydro-5-methylisoquinoline

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  • Name 1,2,3,4-Tetrahydro-5-methylisoquinoline
  • EINECSN/A
  • CAS No. 123593-99-7
  • Density0.991 g/cm3
  • PSA12.03000
  • LogP1.96950
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC10H13N
  • Boiling Point252.315 °C at 760 mmHg
  • Molecular Weight147.22
  • Flash Point109.981 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 123593-99-7 (5-methyl-1,2,3,4-tetrahydroisoquinoline)
  • Hazard SymbolsN/A
  • SynonymsN/A

1,2,3,4-Tetrahydro-5-methylisoquinoline Specification

The Isoquinoline,1,2,3,4-tetrahydro-5-methyl-, with the CAS registry number 123593-99-7, has the systematic name of 5-methyl-1,2,3,4-tetrahydroisoquinoline. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H13N.

The characteristics of Isoquinoline,1,2,3,4-tetrahydro-5-methyl- are as followings: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.437; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 12.03 Å2; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 46.6 cm3; (13)Molar Volume: 148.571 cm3; (14)Polarizability: 18.474×10-24cm3; (15)Surface Tension: 36.012 dyne/cm; (16)Density: 0.991 g/cm3; (17)Flash Point: 109.981 °C; (18)Enthalpy of Vaporization: 48.966 kJ/mol; (19)Boiling Point: 252.315 °C at 760 mmHg; (20)Vapour Pressure: 0.019 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cccc2c1CCNC2
(2)InChI: InChI=1/C10H13N/c1-8-3-2-4-9-7-11-6-5-10(8)9/h2-4,11H,5-7H2,1H3
(3)InChIKey: QZGXYVCFHDTRMW-UHFFFAOYAT

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