Chemical Properties of Laudanosine (CAS 20412-65-1)

Laudanosine

InChI
InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3
InChI Key
KGPAYJZAMGEDIQ-UHFFFAOYSA-N
Formula
C21H27NO4
SMILES
COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1OC
Molecular Weight1
357.44
CAS
20412-65-1
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Physical Properties

Property Value Unit Source
ω 0.8538 Relay (1.0) Calculated Property
ΔfG° 16.52 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -373.75 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 123.92 kJ/mol Relay (1.0) Calculated Property
IE 7.62 eV Relay (1.0) Calculated Property
log10WS -2.61 Relay (1.0) Calculated Property
logPoct/wat 3.493 Crippen Calculated Property
McVol 281.830 ml/mol McGowan Calculated Property
Pc 1308.94 kPa Relay (1.0-beta) Calculated Property
Inp 2660.00 NIST
Tboil 691.33 K Relay (1.0) Calculated Property
Tc 947.19 K Relay (1.0) Calculated Property
Tfus 415.30 K Relay (1.0) Calculated Property
Vc 1.032 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

(S)-Laudanine. Laudanine. (S)-1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methylisoquinolin-7-ol. N-Acetylnorlaudanosine. californine. 6H-Dibenzo[a,g]quinolizine-2,9-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, (.+/-.)-. Californine-M, (di-(demethylene-methyl-)), isomer-3, 2AC. Californine-M, (di-(demethylene-methyl-)), isomer-2, 2AC. Californine-M, (di-(demethylene-methyl-)), isomer-1, 2AC. 7-N orcarnegine. Carnegine. Californine-M, (demethylene-methyl-) isomer-2 AC. Californine-M, (demethylene-methyl-) isomer-1 AC. Californine-M (nor-) AC. Californine-M, (demethylene-) 2AC.

Find more compounds similar to Laudanosine.

Sources

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