Chemical Properties of 4-Methylethcathinone (CAS 1225617-18-4)

4-Methylethcathinone

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InChI
InChI=1S/C12H17NO/c1-4-13-10(3)12(14)11-7-5-9(2)6-8-11/h5-8,10,13H,4H2,1-3H3
InChI Key
ZOXZWYWOECCBSH-UHFFFAOYSA-N
Formula
C12H17NO
SMILES
CCNC(C)C(=O)c1ccc(C)cc1
Molecular Weight1
191.27
CAS
1225617-18-4
Sources

Physical Properties

Property Value Unit Source
Δf 110.97 kJ/mol Joback Calculated Property
Δfgas -130.34 kJ/mol Joback Calculated Property
Δfus 23.66 kJ/mol Joback Calculated Property
Δvap 58.04 kJ/mol Joback Calculated Property
logPoct/wat 2.18 Crippen Calculated Property
Pc 2576.72 kPa Joback Calculated Property
Tboil 609.22 K Joback Calculated Property
Tc 822.57 K Joback Calculated Property
Tfus 351.53 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 420.02 J/mol×K 609.22 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Ethylamino-1-phenylpropanone. N-Ethylcathinone. Methcathinone. R(+)-Methcathinone. 1-Propanone, 2-(diethylamino)-1-phenyl-. Tenuate. 1-Propanone, 2-(dimethylamino)-1-phenyl-. 4'-Methyl-a-pyrrolidinopropiophenone. 4-Fluoromethcathinone. 3,4-Dimethylmethcathinone. Buphedrone. a-Pyrrolidinopropiophenone. Cathinone. Pentedrone. 4-Methyl-a-pyrrolidinobutiophenone.

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