Chemical Properties of Anhalinine (CAS 642-30-8)

Anhalinine

InChI
InChI=1S/C12H17NO3/c1-14-10-6-8-4-5-13-7-9(8)11(15-2)12(10)16-3/h6,13H,4-5,7H2,1-3H3
InChI Key
GOBKARNYNSWQFZ-UHFFFAOYSA-N
Formula
C12H17NO3
SMILES
COc1cc2c(c(OC)c1OC)CNCC2
Molecular Weight1
223.27
CAS
642-30-8
Other Names
  • 1,2,3,4-Tetrahydroquinoline, 6,7,8-trimethoxy-
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Physical Properties

Property Value Unit Source
ω 0.6699 Relay (1.0) Calculated Property
ΔfG° -46.88 kJ/mol Joback Calculated Property
ΔfH°gas -300.89 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 27.44 kJ/mol Joback Calculated Property
ΔvapH° 92.74 kJ/mol Relay (1.0) Calculated Property
IE 7.79 eV Relay (1.0) Calculated Property
log10WS -1.27 Relay (1.0) Calculated Property
logPoct/wat 1.358 Crippen Calculated Property
McVol 172.910 ml/mol McGowan Calculated Property
Pc 2665.27 kPa Joback Calculated Property
Tboil 604.40 K Relay (1.0) Calculated Property
Tc 827.63 K Relay (1.0) Calculated Property
Tfus 384.92 K Relay (1.0) Calculated Property
Vc 0.634 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [455.17; 537.53] J/mol×K [652.05; 874.69] Show Hide
Cp,gas 455.17 J/mol×K 652.05 Joback Calculated Property
Cp,gas 471.11 J/mol×K 689.16 Joback Calculated Property
Cp,gas 486.18 J/mol×K 726.26 Joback Calculated Property
Cp,gas 500.37 J/mol×K 763.37 Joback Calculated Property
Cp,gas 513.67 J/mol×K 800.48 Joback Calculated Property
Cp,gas 526.06 J/mol×K 837.58 Joback Calculated Property
Cp,gas 537.53 J/mol×K 874.69 Joback Calculated Property

Similar Compounds

1,2,3,4-Tetrahydroisoquinoline, 6,7,8-trimethoxy-1-methyl-. Hydrocotarnine. 1,3-Dioxolo[4,5-h]isoquinoline, 6,7,8,9-tetrahydro-4-methoxy-9-methyl-, (S)-. Anhalonidine. Protopine. Protopine-M (demethylene-methyl-) isomer-2, AC. N-Acetylnornarcotine. Methoxyoestrone (enol)-TMS. Protopine-M (demethylene-methyl-) isomer-1, AC. Tetrabenazine M (desmethyl-HO-), monoacetylated. cis-1,2-Tetralinediol, ferrocenylboronate. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. Butorphanol di-TMS derivative. Moexipril Me. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate.

Find more compounds similar to Anhalinine.

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