Chemical Properties of Anhalonine (CAS 519-04-0)

Anhalonine

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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
Sources

Physical Properties

Property Value Unit Source
Δf 51.63 kJ/mol Joback Calculated Property
Δfgas -298.99 kJ/mol Joback Calculated Property
Δfus 39.16 kJ/mol Joback Calculated Property
Δvap 65.73 kJ/mol Joback Calculated Property
logPoct/wat 1.63 Crippen Calculated Property
Pc 3117.52 kPa Joback Calculated Property
Tboil 667.85 K Joback Calculated Property
Tc 906.52 K Joback Calculated Property
Tfus 518.50 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 448.85 J/mol×K 667.85 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-O- (ring) 2
=CH- (ring) 1
>NH (ring) 1
=C< (ring) 5
-CH3 2
>CH- (ring) 1
-CH2- (ring) 3

Similar Compounds

Anhalonidine. Hydrocotarnine. Anhalinine. Isoquinoline, 6,7-dimethoxy-8-hydroxy-1,2,3,4-tetrahydro-,hydrochloride. Protopine. 6H-Dibenzo[a,g]quinolizine-2,9-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, (.+/-.)-. Chondrocurarine, iodide. Protopine-M (demethylene-methyl-) isomer-2, AC. Protopine-M (demethylene-methyl-) isomer-1, AC. californine. Tetrabenazine M (desmethyl-HO-), monoacetylated. Californine-M, (demethylene-methyl-) isomer-2 AC. Californine-M, (demethylene-methyl-) isomer-1 AC. Californine-M, (demethylene-) 2AC. 6-N orcarnegine.

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