Chemical Properties of Acetamide, n-(beta,3,4-trihydroxyphenethyl)-, 3,4-diacetate (CAS 109038-67-7)

Acetamide, n-(beta,3,4-trihydroxyphenethyl)-, 3,4-diacetate

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InChI
InChI=1S/C14H17NO6/c1-8(16)15-7-12(19)11-4-5-13(20-9(2)17)14(6-11)21-10(3)18/h4-6,12,19H,7H2,1-3H3,(H,15,16)
InChI Key
SBCYFIYIVXKFBL-UHFFFAOYSA-N
Formula
C14H17NO6
SMILES
CC(=O)NCC(O)c1ccc(OC(C)=O)c(OC(C)=O)c1
Molecular Weight1
295.29
CAS
109038-67-7
Sources

Physical Properties

Property Value Unit Source
Δf -486.48 kJ/mol Joback Calculated Property
Δfgas -824.92 kJ/mol Joback Calculated Property
Δfus 38.12 kJ/mol Joback Calculated Property
Δvap 98.14 kJ/mol Joback Calculated Property
logPoct/wat 0.71 Crippen Calculated Property
Pc 2517.59 kPa Joback Calculated Property
Tboil 904.72 K Joback Calculated Property
Tc 1117.80 K Joback Calculated Property
Tfus 591.73 K Joback Calculated Property
Vc 0.81 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 653.90 J/mol×K 904.72 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Acetamide, N-[2-[3,4-bis(acetyloxy)phenyl]-2-hydroxyethyl]-N-methyl-. Dopamine, N-acetyl-TFA. (-)-Norepinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. DL-Norepinephrine, N,N-dimethyl-, trimethyl ether. (-)-Norepinephrine, N,N-dimethyl-, trimethyl ether. 2-(3,4-Dimethoxyphenyl)-2-methoxy-N,N-dimethylethanamine. Epoxypseudoisoeugenyl 2-methylbutyrate. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. (-)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. 1,2-Benzenediol, 4-[2-[[2-(1,3-benzodioxol-5-yl)-1-methylethyl]amino]-1-hydroxyethyl]-. 1,2-Diacetoxy-4-allylbenzene. Epoxypseudoisoeugenyl tiglate. Epoxypseudoisoeugenyl tiglate I. Epoxypseudoisoeugenyl tiglate II. 1-(4-Acetoxy-3-methoxyphenyl)allyl acetate.

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