Chemical Properties of N-methyl-3,4-methylenedioxyamphetamine

N-methyl-3,4-methylenedioxyamphetamine

InChI
InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
InChI Key
SHXWCVYOXRDMCX-UHFFFAOYSA-N
Formula
C11H15NO2
SMILES
CNC(C)Cc1ccc2c(c1)OCO2
Molecular Weight1
193.25
Other Names
  • (.+/-.)-(3,4-Methylenedioxy)methamphetamine
  • (RS)-3,4-(Methylenedioxy)methamphetamine
  • 1,3-Benzodioxole-5-ethanamine, N,«alpha»-dimethyl-
  • 3,4-Methylenedioxy-N,«alpha»-dimethyl-«beta»-phenylethylamine
  • 3,4-Methylenedioxymethamphetamine
  • 3,4-Methylenedioxymethylamphetamine
  • 64057-70-1 (hydrochloride)
  • Adam
  • DL-(3,4-Methylenedioxy)methamphetamine
  • Ecstasy
  • MDMA
  • Methamphetamine, 3,4-methylenedioxy
  • Methylenedioxymethamphetamine
  • Methylenedioxymethamphetamine (MDMA)
  • Phenethylamine, N,«alpha»-dimethyl-3,4-methylenedioxy-
  • XTC
  • methylenedioxymetamphetamine (MDMA,XTC)
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Physical Properties

Property Value Unit Source
ΔfusH° 32.11 kJ/mol Joback Calculated Property
ΔvapH° 70.67 kJ/mol Relay (1.0) Calculated Property
IE 7.82 eV Relay (1.0) Calculated Property
logPoct/wat 1.566 Crippen Calculated Property
McVol 152.950 ml/mol McGowan Calculated Property
Inp [1551.10; 1585.00]   Show Hide
Inp 1551.10 NIST
Inp 1560.00 NIST
Inp 1553.00 NIST
Inp 1554.00 NIST
Inp Outlier 1585.00 NIST
Inp 1551.10 NIST
Inp 1560.00 NIST
Inp 1553.00 NIST
Tboil 543.05 K Relay (1.0) Calculated Property
Tfus 423.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate 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 [211.56; 511.77] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.68490e+01
Coefficient B1.10444e+00
Coefficient C-7.71320e-04
Coefficient D2.15500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 211.56 J/mol×K 273.00 Calculated Property
Cp,gas 266.88 J/mol×K 353.78 Calculated Property
Cp,gas 315.12 J/mol×K 434.56 Calculated Property
Cp,gas 356.96 J/mol×K 515.33 Calculated Property
Cp,gas 393.08 J/mol×K 596.11 Calculated Property
Cp,gas 424.17 J/mol×K 676.89 Calculated Property
Cp,gas 450.90 J/mol×K 757.67 Calculated Property
Cp,gas 473.95 J/mol×K 838.44 Calculated Property
Cp,gas 494.02 J/mol×K 919.22 Calculated Property
Cp,gas 511.77 J/mol×K 1000.00 Calculated Property

Similar Compounds

(.+/-.)-MDEA. N-Methyl-1-(1,3-benzodioxol-5-yl)-2-butanamine. Methylenedioxyamphetamine acetate. 3-Methoxymethamphetamine. Tenamfetamine. Tenamfetamine. N-Methyl-N-trifluoroacetyl-3,4-methylenedioxyamphetamine. 1,2-Benzenediol, 4-[2-[[2-(1,3-benzodioxol-5-yl)-1-methylethyl]amino]-1-hydroxyethyl]-. Methylenedioxyamphetamine, N,-heptafluorobutyryl deriv.. Methylenedioxymethamphetamine, n-heptafluorobutyryl deriv.. (.+/-.)-3,4-Methylenedioxyamphetamine, N-trimethylsilyl-. (.+/-.)-BDB. Benzenethanamine, 3,4-dimethoxy-«alpha»-methyl-. Benzeneethanamine, 4-methoxy-N,«alpha»-dimethyl-. 3,4-Methylenedioxy-2-methoxyamphetamine.

Find more compounds similar to N-methyl-3,4-methylenedioxyamphetamine.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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