Chemical Properties of Carbinoxamine (CAS 486-16-8)

InChI

InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3

InChI Key

OJFSXZCBGQGRNV-UHFFFAOYSA-N

Formula

C16H19ClN2O

SMILES

CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1

Molecular Weight¹

290.79

CAS

486-16-8

Other Names

• Ethanamine, 2-[(4-chlorophenyl)-2-pyridinylmethoxy]-N,N-dimethyl-
• Pyridine, 2-[p-chloro-«alpha»-[2-(dimethylamino)ethoxy]benzyl]-
• Allergefon
• McN-R 73Z
• Paracarbinoxamine
• 2-(p-Chloro-«alpha»-(2-(dimethylamino)ethoxy)benzyl)pyridine
• Paracarinoxamine
• Carbinoxamine base
• (.+/-.)-Carbinoxamine

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6019		Relay (1.0) Calculated Property
ΔfG°	251.89	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	14.53	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	89.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.34	eV	Relay (1.0) Calculated Property
log10WS	-2.11		Relay (1.0) Calculated Property
logPoct/wat	3.403		Crippen Calculated Property
McVol	226.850	ml/mol	McGowan Calculated Property
Pc	2224.89	kPa	Relay (1.0-beta) Calculated Property
Inp	[2047.00; 2109.00]
Inp	Outlier 2109.00		NIST
Inp	2067.00		NIST
Inp	2060.00		NIST
Inp	2052.00		NIST
Inp	2047.00		NIST
Inp	2070.00		NIST
Inp	2075.00		NIST
Inp	2080.00		NIST
Inp	2080.00		NIST
Inp	2070.00		NIST
Inp	2060.00		NIST
Inp	2047.00		NIST
I	2903.00		NIST
Tboil	612.76	K	Relay (1.0) Calculated Property
Tc	871.24	K	Relay (1.0) Calculated Property
Tfus	353.90	K	Relay (1.0) Calculated Property
Vc	0.816	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Carbinoxamine.

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
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.