Chemical Properties of 4-Methoxyamphetamine, N-acetyl (CAS 51920-74-2)

InChI

InChI=1S/C12H17NO2/c1-9(13-10(2)14)8-11-4-6-12(15-3)7-5-11/h4-7,9H,8H2,1-3H3,(H,13,14)

InChI Key

YGLMBIHCBHUNBV-UHFFFAOYSA-N

Formula

C12H17NO2

SMILES

COc1ccc(CC(C)N=C(C)O)cc1

Molecular Weight¹

207.27

CAS

51920-74-2

Other Names

• p-Methoxyamphetamine acetate
• N-Acetyl-p-methoxyamphetamine

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	7.99	eV	Relay (1.0) Calculated Property
log10WS	-2.06		Relay (1.0) Calculated Property
logPoct/wat	2.603		Crippen Calculated Property
McVol	173.600	ml/mol	McGowan Calculated Property
Inp	[1720.00; 1720.00]
Inp	1720.00		NIST
Inp	1720.00		NIST
Tboil	602.98	K	Relay (1.0) Calculated Property
Tfus	341.13	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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.

Similar Compounds

Find more compounds similar to 4-Methoxyamphetamine, N-acetyl.

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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