Chemical Properties of 3,4-Dimethoxyphenylthylamine, N,N-bis(trimethylsilyl)-

InChI

InChI=1S/C16H31NO2Si2/c1-18-15-10-9-14(13-16(15)19-2)11-12-17(20(3,4)5)21(6,7)8/h9-10,13H,11-12H2,1-8H3

InChI Key

NUORFFQMYGHTFG-UHFFFAOYSA-N

Formula

C16H31NO2Si2

SMILES

COc1ccc(CCN([Si](C)(C)C)[Si](C)(C)C)cc1OC

Molecular Weight¹

325.59

Other Names

• Benzeneethanamine, 3,4-dimethoxy, di-TMS
• 3,4-Dimethoxyphenylethylamine, bis-TMS
• 3,4-Dimethoxyphenethylamine, 2tms derivative

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• 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	7.65	eV	Relay (1.0) Calculated Property
log10WS	-2.58		Relay (1.0) Calculated Property
logPoct/wat	4.218		Crippen Calculated Property
Inp	[1978.00; 1995.80]
Inp	1978.00		NIST
Inp	1995.80		NIST
Inp	1978.00		NIST
Tboil	589.35	K	Relay (1.0) Calculated Property
Tfus	283.77	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 3,4-Dimethoxyphenylthylamine, N,N-bis(trimethylsilyl)-.

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
• NIST Webbook

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