Chemical Properties of Venlafaxine-M (O-desmethyl-) 2AC

Venlafaxine-M (O-desmethyl-) 2AC

InChI
InChI=1S/C20H29NO4/c1-15(22)24-18-10-8-17(9-11-18)19(14-21(3)4)20(25-16(2)23)12-6-5-7-13-20/h8-11,19H,5-7,12-14H2,1-4H3
InChI Key
FJPCUDTUEULBNQ-UHFFFAOYSA-N
Formula
C20H29NO4
SMILES
CC(=O)Oc1ccc(C(CN(C)C)C2(OC(C)=O)CCCCC2)cc1
Molecular Weight1
347.45
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Physical Properties

Property Value Unit Source
ΔfusH° 34.98 kJ/mol Joback Calculated Property
logPoct/wat 3.523 Crippen Calculated Property
McVol 282.900 ml/mol McGowan Calculated Property
Inp 2230.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [380.87; 976.77] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.12049e+02
Coefficient B2.19968e+00
Coefficient C-1.56856e-03
Coefficient D4.57700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 380.87 J/mol×K 273.00 Calculated Property
Cp,gas 490.10 J/mol×K 353.78 Calculated Property
Cp,gas 585.19 J/mol×K 434.56 Calculated Property
Cp,gas 667.60 J/mol×K 515.33 Calculated Property
Cp,gas 738.77 J/mol×K 596.11 Calculated Property
Cp,gas 800.16 J/mol×K 676.89 Calculated Property
Cp,gas 853.20 J/mol×K 757.67 Calculated Property
Cp,gas 899.36 J/mol×K 838.44 Calculated Property
Cp,gas 940.06 J/mol×K 919.22 Calculated Property
Cp,gas 976.77 J/mol×K 1000.00 Calculated Property

Similar Compounds

Venlafaxine AC. Venlafaxine-M (O-desmethyl-HO-) isomer-1 2AC. Venlafaxine-M (O-desmethyl-HO-) isomer-2 2AC. Venlafaxine. Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-. Venlafaxine, trimethylsilyl ether. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. AJMALINE, M(NOR-), AC. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Hydromorphone, trimethylsilyl ether. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate].

Find more compounds similar to Venlafaxine-M (O-desmethyl-) 2AC.

Sources

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