Chemical Properties of 4-Acetyloxy-3,6-dimethoxy-8-[2-(N-methyl-acetamido)]ethylphenanthrene

4-Acetyloxy-3,6-dimethoxy-8-[2-(N-methyl-acetamido)]ethylphenanthrene

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InChI
InChI=1S/C23H25NO5/c1-14(25)24(3)11-10-17-12-18(27-4)13-20-19(17)8-6-16-7-9-21(28-5)23(22(16)20)29-15(2)26/h6-9,12-13H,10-11H2,1-5H3
InChI Key
IQCNMUAWZXTDNZ-UHFFFAOYSA-N
Formula
C23H25NO5
SMILES
COc1cc(CCN(C)C(C)=O)c2ccc3ccc(OC)c(OC(C)=O)c3c2c1
Molecular Weight1
395.45
Sources

Physical Properties

Property Value Unit Source
Δf -41.72 kJ/mol Joback Calculated Property
Δfgas -511.02 kJ/mol Joback Calculated Property
Δfus 51.24 kJ/mol Joback Calculated Property
Δvap 98.42 kJ/mol Joback Calculated Property
logPoct/wat 3.96 Crippen Calculated Property
Pc 1471.36 kPa Joback Calculated Property
Tboil 1002.62 K Joback Calculated Property
Tc 1234.33 K Joback Calculated Property
Tfus 702.41 K Joback Calculated Property
Vc 1.14 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 963.10 J/mol×K 1002.62 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
-CH3 5
=CH- (ring) 6
>N- 1
=C< (ring) 8
-CH2- 2
>C=O (nonring) 2

Similar Compounds

4-Acetoxy-3,6-dimethoxy-5-[2-(N-methyl-acetamido)]ethylphenanthrene. Acetamide, N-[2-[3,4-bis(acetyloxy)phenyl]-2-hydroxyethyl]-N-methyl-. Methylone M (demethylenyl, 3-O-methyl), 2Ac. Acetamide, n-(beta,3,4-trihydroxyphenethyl)-, 3,4-diacetate. Dopamine, N-acetyl-TFA. 4,6-Diacetoxy-3-methoxyphenanthrene. 4-O-Acetylthebaol. 1,2-Naphthalenediol, diacetate. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (hydroxyl-N-acetyl)-isomer 2, acetylated. Propranolol hydroxy - H2O, isomer I, acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (hydroxyl-N-acetyl)-isomer 1, acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (OH-N-acetyl-), isomer 2, propionylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-N-acetyl-), isomer 1, propionylated. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. (-)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-.

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