Chemical Properties of Phenethylamine, 3-methoxy-«alpha»-methyl-4,5-(methylenedioxy)- (CAS 13674-05-0)

InChI

InChI=1S/C11H15NO3/c1-7(12)3-8-4-9(13-2)11-10(5-8)14-6-15-11/h4-5,7H,3,6,12H2,1-2H3

InChI Key

YQYUWUKDEVZFDB-UHFFFAOYSA-N

Formula

C11H15NO3

SMILES

COc1cc(CC(C)N)cc2c1OCO2

Molecular Weight¹

209.24

CAS

13674-05-0

Other Names

• MMDA
• 3-Methoxy-«alpha»-methyl-4,5-methylenedioxyphenethylamine
• Phenethylamine, «alpha»-methyl-3-methoxy-4,5-(methylenedioxy)-
• 3-Methoxy-4,5-methylenedioxyamphetamine
• 5-Methoxy-3,4-methylenedioxyamphetamine
• 2-(7-Methoxy-1,3-benzodioxol-5-yl)-1-methylethylamine
• Amphetamine, 3,4-methylenedioxy-5-methoxy
• (.+/-.)-MMDA
• 1,3-Benzodioxole-5-ethanamine, 7-methoxy-a-methyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.00	kJ/mol	Joback Calculated Property
IE	7.89	eV	Relay (1.0) Calculated Property
logPoct/wat	1.314		Crippen Calculated Property
McVol	158.820	ml/mol	McGowan Calculated Property
Inp	[1662.00; 1705.00]
Inp	1662.00		NIST
Inp	1705.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[429.40; 499.52]	J/mol×K	[652.52; 880.18]
Cp,gas	429.40	J/mol×K	652.52	Joback Calculated Property
Cp,gas	443.14	J/mol×K	690.46	Joback Calculated Property
Cp,gas	456.00	J/mol×K	728.41	Joback Calculated Property
Cp,gas	468.02	J/mol×K	766.35	Joback Calculated Property
Cp,gas	479.25	J/mol×K	804.30	Joback Calculated Property
Cp,gas	489.74	J/mol×K	842.24	Joback Calculated Property
Cp,gas	499.52	J/mol×K	880.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenethylamine, 3-methoxy-«alpha»-methyl-4,5-(methylenedioxy)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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