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
Sources

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
logPoct/wat 4.32 Crippen Calculated Property
Pc 1440.25 kPa Joback Calculated Property
Tboil 1080.78 K Joback Calculated Property
Tc 1326.50 K Joback Calculated Property
Tfus 734.45 K Joback Calculated Property
Vc 1.22 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1036.56 J/mol×K 1080.78 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 3
=CH- (ring) 8
>N- 1
=C< (ring) 7
-CH2- 2
=CH- 1
-CH3 4

Similar Compounds

Cyproheptadine M (nor, OH), acetylated. Amitriptyline N-oxide M(Desoxo-HO). Amitriptyline N-oxide M(Desoxo-nor-HO). Amitriptyline M(Nor-HO), acetylated. Doxepin M(Nor-HO), diacetylated, isomer # 2. Dosulepin-M (nor-HO-) 2AC. Cyproheptadine M (nor), acetylated. Doxepin M(Nor-HO), diacetylated, isomer # 1. Doxepin M(HO), acetylated, isomer # 2. Cyclobenzaprine. Protriptyline M(HO), acetylated. Dosulepin-M (HO-) isomer-2 AC. N-Desmethylcyclobenzaprine. Doxepin M(HO), acetylated, isomer # 1. Cyproheptadine.

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

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