Chemical Properties of «alpha»-Methyl-3,4-(methylenedioxy)phenethylamine hydrochloride (CAS 6292-91-7)

InChI

InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3

InChI Key

NGBBVGZWCFBOGO-UHFFFAOYSA-N

Formula

C10H13NO2.ClH

SMILES

CC(N)Cc1ccc2c(c1)OCO2.Cl

Molecular Weight¹

215.68

CAS

6292-91-7

Other Names

• Amphetamine, 3,4-(methylenedioxy)-, hydrochloride
• Phenethylamine, «alpha»-methyl-3,4-(methylenedioxy)-, hydrochloride
• 1-(3,4-(Methylenedioxy)phenyl)-2-aminopropane
• 1,3-Benzodioxole-5-ethanamine, «alpha»-methyl-, hydrochloride
• 3,4-(Methylenedioxy)-«alpha»-methyl-«beta»-phenylethylamine hydrochloride
• 3,4-Methylenedioxyamphetamine hydrochloride
• Phenethylamine, alpha-methyl-3,4-(methylenedioxy)-, hydrochloride

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.46; 483.66]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.06100e+00
Coefficient B			8.98820e-01
Coefficient C			-5.24720e-04
Coefficient D			1.04500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.46	J/mol×K	273.00	Calculated Property
Cp,gas	262.00	J/mol×K	353.78	Calculated Property
Cp,gas	305.14	J/mol×K	434.56	Calculated Property
Cp,gas	343.21	J/mol×K	515.33	Calculated Property
Cp,gas	376.54	J/mol×K	596.11	Calculated Property
Cp,gas	405.46	J/mol×K	676.89	Calculated Property
Cp,gas	430.30	J/mol×K	757.67	Calculated Property
Cp,gas	451.39	J/mol×K	838.44	Calculated Property
Cp,gas	469.07	J/mol×K	919.22	Calculated Property
Cp,gas	483.66	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Methyl-3,4-(methylenedioxy)phenethylamine hydrochloride.

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

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