Chemical Properties of Acetamide, N-[2-[3,4-bis(acetyloxy)phenyl]-2-hydroxyethyl]-N-methyl- (CAS 55712-68-0)

Acetamide, N-[2-[3,4-bis(acetyloxy)phenyl]-2-hydroxyethyl]-N-methyl-

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InChI
InChI=1S/C15H19NO6/c1-9(17)16(4)8-13(20)12-5-6-14(21-10(2)18)15(7-12)22-11(3)19/h5-7,13,20H,8H2,1-4H3
InChI Key
VIEBAWINIWTURC-UHFFFAOYSA-N
Formula
C15H19NO6
SMILES
CC(=O)Oc1ccc(C(O)CN(C)C(C)=O)cc1OC(C)=O
Molecular Weight1
309.31
CAS
55712-68-0
Other Names
  • Acetamide, N-methyl-N-(beta,3,4-trihydroxyphenethyl)-, 3,4-diacetate
Sources

Physical Properties

Property Value Unit Source
Δf -456.67 kJ/mol Joback Calculated Property
Δfgas -831.50 kJ/mol Joback Calculated Property
Δfus 38.63 kJ/mol Joback Calculated Property
Δvap 95.98 kJ/mol Joback Calculated Property
logPoct/wat 1.05 Crippen Calculated Property
Pc 2258.96 kPa Joback Calculated Property
Tboil 889.87 K Joback Calculated Property
Tc 1099.10 K Joback Calculated Property
Tfus 582.81 K Joback Calculated Property
Vc 0.85 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 699.81 J/mol×K 889.87 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Acetamide, n-(beta,3,4-trihydroxyphenethyl)-, 3,4-diacetate. (-)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. 2-(3,4-Dimethoxyphenyl)-2-methoxy-N,N-dimethylethanamine. (-)-Norepinephrine, N,N-dimethyl-, trimethyl ether. DL-Norepinephrine, N,N-dimethyl-, trimethyl ether. DL-Metanephrine, N,O,O'-tris(trifluoroacetyl)-. Dopamine, N-acetyl-TFA. (-)-Norepinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. Methylone M (demethylenyl, 3-O-methyl), 2Ac. Ethylephrine, N-TFA-O-TMS. Epoxypseudoisoeugenyl tiglate II. Epoxypseudoisoeugenyl 2-methylbutyrate. Epoxypseudoisoeugenyl tiglate. Epoxypseudoisoeugenyl tiglate I.

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