Chemical Properties of 1,3-Dioxolo[4,5-h]isoquinoline, 6,7,8,9-tetrahydro-4-methoxy-9-methyl-, (S)- (CAS 519-04-0)

1,3-Dioxolo[4,5-h]isoquinoline, 6,7,8,9-tetrahydro-4-methoxy-9-methyl-, (S)-

InChI
InChI=1S/C12H15NO3/c1-7-10-8(3-4-13-7)5-9(14-2)11-12(10)16-6-15-11/h5,7,13H,3-4,6H2,1-2H3
InChI Key
YEGBVDVRKMCCON-UHFFFAOYSA-N
Formula
C12H15NO3
SMILES
COc1cc2c(c3c1OCO3)C(C)NCC2
Molecular Weight1
221.25
CAS
519-04-0
Other Names
  • Anhalonine
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Physical Properties

Property Value Unit Source
ΔfusH° 39.16 kJ/mol Joback Calculated Property
logPoct/wat 1.631 Crippen Calculated Property
McVol 162.050 ml/mol McGowan Calculated Property
Inp [1850.00; 1850.00]   Show Hide
Inp 1850.00 NIST
Inp 1850.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [226.19; 551.09] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.92100e+01
Coefficient B1.06304e+00
Coefficient C-6.42040e-04
Coefficient D1.49300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 226.19 J/mol×K 273.00 Calculated Property
Cp,gas 283.12 J/mol×K 353.78 Calculated Property
Cp,gas 333.75 J/mol×K 434.56 Calculated Property
Cp,gas 378.54 J/mol×K 515.33 Calculated Property
Cp,gas 417.96 J/mol×K 596.11 Calculated Property
Cp,gas 452.48 J/mol×K 676.89 Calculated Property
Cp,gas 482.59 J/mol×K 757.67 Calculated Property
Cp,gas 508.74 J/mol×K 838.44 Calculated Property
Cp,gas 531.42 J/mol×K 919.22 Calculated Property
Cp,gas 551.09 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,2,3,4-TETRAHYDROISOQUINOLINE, 6,7,8-TRIMETHOXY-1-METHYL-. Lophophorine. N-Acetylnornarcotine. Anhalonidine. Hydrastine. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. cis-1,2-Tetralinediol, ferrocenylboronate. N-Desmethylmirtazapine. Butorphanol di-TMS derivative. Noscapine. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. Morphinan-3-ol, 4,5-epoxy-17-methyl-, (5.alpha.)-. 9H-purine-6(1h)-thione, 2-amino-9-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Brucine.

Find more compounds similar to 1,3-Dioxolo[4,5-h]isoquinoline, 6,7,8,9-tetrahydro-4-methoxy-9-methyl-, (S)-.

Sources

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