Chemical Properties of Amitriptyline M(Nor-di-HO), acetylated

Amitriptyline M(Nor-di-HO), acetylated

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InChI
InChI=1S/C25H25NO5/c1-16(27)26(4)13-5-6-23-24-14-21(30-17(2)28)11-9-19(24)7-8-20-10-12-22(15-25(20)23)31-18(3)29/h6-12,14-15H,5,13H2,1-4H3
InChI Key
OEBSSXYYXMTTLO-UHFFFAOYSA-N
Formula
C25H25NO5
SMILES
CC(=O)Oc1ccc2c(c1)C(=CCCN(C)C(C)=O)c1cc(OC(C)=O)ccc1C=C2
Molecular Weight1
419.47
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Physical Properties

Property Value Unit Source
Δf 3.82 kJ/mol Joback Calculated Property
Δfgas -439.85 kJ/mol Joback Calculated Property
Δfus 55.84 kJ/mol Joback Calculated Property
Δvap 106.85 kJ/mol Joback Calculated Property
log10WS -5.93 Crippen Calculated Property
logPoct/wat 4.321 Crippen Calculated Property
McVol 322.560 ml/mol McGowan Calculated Property
Pc 1440.25 kPa Joback Calculated Property
Inp [2800.00; 2800.00]   Show Hide
Inp 2800.00 NIST
Inp 2800.00 NIST
Tboil 1080.78 K Joback Calculated Property
Tc 1326.50 K Joback Calculated Property
Tfus 734.45 K Joback Calculated Property
Vc 1.218 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1036.56; 1096.13] J/mol×K [1080.78; 1326.50] Show Hide
Cp,gas 1036.56 J/mol×K 1080.78 Joback Calculated Property
Cp,gas 1048.50 J/mol×K 1121.73 Joback Calculated Property
Cp,gas 1059.49 J/mol×K 1162.69 Joback Calculated Property
Cp,gas 1069.63 J/mol×K 1203.64 Joback Calculated Property
Cp,gas 1079.04 J/mol×K 1244.59 Joback Calculated Property
Cp,gas 1087.84 J/mol×K 1285.54 Joback Calculated Property
Cp,gas 1096.13 J/mol×K 1326.50 Joback Calculated Property

Similar Compounds

Amitriptyline N-oxide M(Desoxo-HO). Cyproheptadine M (nor, OH), acetylated. Amitriptyline M(Nor-HO), acetylated. Amitriptyline N-oxide M(Desoxo-nor-HO). Isooctylhydrocupreine. Doxepin M(Nor-HO), diacetylated, isomer # 2. Dosulepin-M (nor-HO-) 2AC. Quinine. Quinidine. Hydroquinidine. Cinchonan-9-ol, 10,11-dihydro-6'-methoxy-, (8«alpha»,9R)-. Protriptyline M(HO), acetylated. Moexipril desethyl 3Me (Moexprilate 3Me). Moexipril Me. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester.

Find more compounds similar to Amitriptyline M(Nor-di-HO), acetylated.

Sources

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