Chemical Properties of R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-HO-aryl-), 3AC

R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-HO-aryl-), 3AC

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InChI
InChI=1S/C16H21NO5/c1-10(17(5)11(2)18)8-14-9-15(21-12(3)19)6-7-16(14)22-13(4)20/h6-7,9-10H,8H2,1-5H3
InChI Key
SMRJGNPFZITSMB-UHFFFAOYSA-N
Formula
C16H21NO5
SMILES
CC(=O)Oc1ccc(OC(C)=O)c(CC(C)N(C)C(C)=O)c1
Molecular Weight1
307.34
Sources

Physical Properties

Property Value Unit Source
Δf -311.43 kJ/mol Joback Calculated Property
Δfgas -699.91 kJ/mol Joback Calculated Property
Δfus 37.13 kJ/mol Joback Calculated Property
Δvap 81.52 kJ/mol Joback Calculated Property
logPoct/wat 1.95 Crippen Calculated Property
Pc 1903.58 kPa Joback Calculated Property
Tboil 820.57 K Joback Calculated Property
Tc 1031.04 K Joback Calculated Property
Tfus 533.26 K Joback Calculated Property
Vc 0.89 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 704.62 J/mol×K 820.57 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-methyoxy-), isomer 1, 2AC. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl)-isomer 2, acetylated. Fenproporex-M (di-HO-), 3AC. Ethylamphetamine-M (HO-methoxy-), 2AC. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, I. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, II. Fenproporex-M (N-desalkyl-HO-methoxy-), 2AC. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 1, diacetylated. Acetamide, n-[1-(3-acetoxyphenyl)-2-propyl]-. R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (di-HO-), 2AC. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 2, diacetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-oxo-N-acetyl-), TFA. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (hydroxyl-N-acetyl)-isomer 1, acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (hydroxyl-N-acetyl)-isomer 2, acetylated. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 1, di-TFA.

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