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

Anhalinine

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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-
Sources

Physical Properties

Property Value Unit Source
Δf -46.88 kJ/mol Joback Calculated Property
Δfgas -372.23 kJ/mol Joback Calculated Property
Δfus 27.44 kJ/mol Joback Calculated Property
Δvap 61.61 kJ/mol Joback Calculated Property
logPoct/wat 1.36 Crippen Calculated Property
Pc 2665.27 kPa Joback Calculated Property
Tboil 652.05 K Joback Calculated Property
Tc 874.69 K Joback Calculated Property
Tfus 491.88 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 455.17 J/mol×K 652.05 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
=CH- (ring) 1
>NH (ring) 1
=C< (ring) 5
-CH3 3
-CH2- (ring) 3

Similar Compounds

Isoquinoline, 6,7-dimethoxy-8-hydroxy-1,2,3,4-tetrahydro-,hydrochloride. Hydrocotarnine. Anhalonidine. Anhalonine. 6H-Dibenzo[a,g]quinolizine-2,9-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, (.+/-.)-. Protopine. 6-N orcarnegine. 7-N orcarnegine. Protopine-M (demethylene-methyl-) isomer-2, AC. Protopine-M (demethylene-methyl-) isomer-1, AC. 1,3-Dioxolo[4,5-g]isoquinolin-5-ol, 5,6,7,8-tetrahydro-6-methyl-. (S)-Laudanine. Laudanosine. Laudanine. (S)-1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methylisoquinolin-7-ol.

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