Chemical Properties of DOXYLAMINE

InChI

InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3

InChI Key

HCFDWZZGGLSKEP-UHFFFAOYSA-N

Formula

C17H22N2O

SMILES

CN(C)CCOC(C)(c1ccccc1)c1ccccn1

Molecular Weight¹

270.38

Other Names

• 2-(«alpha»-(2-(Dimethylamino)ethoxy)-«alpha»-methylbenzyl)pyridine
• Ethanamine, N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]-
• N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
• NCI C60684
• Phenyl-2-pyridylmethyl-«beta»-N,N-dimethylaminoethyl ether
• Pyridine, 2-[«alpha»-[2-(dimethylamino)ethoxy]-«alpha»-methylbenzyl]-
• «alpha»-Dimethylaminoethoxyphenylmethyl-2-picoline

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.82		Aq. Solubility Prediction
logPoct/wat	2.923		Crippen Calculated Property
McVol	228.700	ml/mol	McGowan Calculated Property
Inp	[1888.00; 1968.00]
Inp	1945.00		NIST
Inp	1958.00		NIST
Inp	1925.00		NIST
Inp	1888.00		NIST
Inp	1890.00		NIST
Inp	1915.00		NIST
Inp	1920.00		NIST
Inp	1964.00		NIST
Inp	1888.00		NIST
Inp	1906.00		NIST
Inp	1968.00		NIST
Inp	1890.00		NIST
Tfus	315.57	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy 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 DOXYLAMINE.

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
• Aqueous Solubility Prediction 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.