Chemical Properties of 3,4-Dimethylmethcathinone (CAS 1082110-00-6)

3,4-Dimethylmethcathinone

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InChI
InChI=1S/C12H17NO/c1-8-5-6-11(7-9(8)2)12(14)10(3)13-4/h5-7,10,13H,1-4H3
InChI Key
IBZRXTVDTGVBIS-UHFFFAOYSA-N
Formula
C12H17NO
SMILES
CNC(C)C(=O)c1ccc(C)c(C)c1
Molecular Weight1
191.27
CAS
1082110-00-6
Sources

Physical Properties

Property Value Unit Source
Δf 101.34 kJ/mol Joback Calculated Property
Δfgas -141.81 kJ/mol Joback Calculated Property
Δfus 23.27 kJ/mol Joback Calculated Property
Δvap 58.70 kJ/mol Joback Calculated Property
logPoct/wat 2.09 Crippen Calculated Property
Pc 2537.93 kPa Joback Calculated Property
Tboil 614.20 K Joback Calculated Property
Tc 828.49 K Joback Calculated Property
Tfus 364.05 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 419.51 J/mol×K 614.2 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH3 4
=CH- (ring) 3
=C< (ring) 3
>NH 1
>C=O (nonring) 1

Similar Compounds

4-Methylethcathinone. 1-(3,4-Dimethylphenyl)-1-propanone. Methcathinone. R(+)-Methcathinone. 1-Propanone, 2-(dimethylamino)-1-phenyl-. N-Ethylcathinone. 2-Ethylamino-1-phenylpropanone. 4-Fluoromethcathinone. Buphedrone. 4'-Methyl-a-pyrrolidinopropiophenone. Pentedrone. 1-Propanone, 2-(diethylamino)-1-phenyl-. Tenuate. 3-Fluoromethcathinone. Methedrone.

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