Chemical Properties of Anhalonidine (CAS 17627-77-9)

Anhalonidine

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InChI
InChI=1S/C12H17NO3/c1-7-10-8(4-5-13-7)6-9(15-2)12(16-3)11(10)14/h6-7,13-14H,4-5H2,1-3H3
InChI Key
PRNZAMQMBOFSJY-UHFFFAOYSA-N
Formula
C12H17NO3
SMILES
COc1cc2c(c(O)c1OC)C(C)NCC2
Molecular Weight1
223.27
CAS
17627-77-9
Sources

Physical Properties

Property Value Unit Source
Δf -94.58 kJ/mol Joback Calculated Property
Δfgas -426.19 kJ/mol Joback Calculated Property
Δfus 33.49 kJ/mol Joback Calculated Property
Δvap 71.25 kJ/mol Joback Calculated Property
logPoct/wat 1.62 Crippen Calculated Property
Pc 3124.49 kPa Joback Calculated Property
Tboil 700.60 K Joback Calculated Property
Tc 933.64 K Joback Calculated Property
Tfus 564.61 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 486.23 J/mol×K 700.6 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Isoquinoline, 6,7-dimethoxy-8-hydroxy-1,2,3,4-tetrahydro-,hydrochloride. Anhalonine. Anhalinine. Hydrocotarnine. 6-N orcarnegine. 7-N orcarnegine. 6H-Dibenzo[a,g]quinolizine-2,9-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, (.+/-.)-. Laudanosine. Laudanine. (S)-Laudanine. O-methylated salsolinol, TMS. Metofoline. (S)-1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methylisoquinolin-7-ol. Chondrocurarine, iodide. californine.

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