Chemical Properties of Diphenylpyraline (CAS 147-20-6)

InChI

InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3

InChI Key

OWQUZNMMYNAXSL-UHFFFAOYSA-N

Formula

C19H23NO

SMILES

CN1CCC(OC(c2ccccc2)c2ccccc2)CC1

Molecular Weight¹

281.39

CAS

147-20-6

Other Names

• Piperidine, 4-(diphenylmethoxy)-1-methyl-
• AN 1041
• Belfene
• Dayfen
• Diphenylpyrilene
• Hispril
• Histryl
• Histyn
• Hystryl
• Lyssipoll
• Mepiben
• N-Methyl-4-(Benzhydryloxy)piperidine
• Neargal
• P 253
• 1-Methyl-4-Piperidyl benzhydryl ether
• 4-(Benzhydryloxy)-1-methylpiperidine
• Allergen
• 4-(Diphenylmethoxy)-1-methylpiperidine
• N-Methylpiperidyl-(4)-benzhydrylaether salzsauren salze
• Diphenylpyralamine

• 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.
• 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	0.5405		Relay (1.0) Calculated Property
ΔfG°	277.75	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	54.34	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	89.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.12	eV	Relay (1.0) Calculated Property
log10WS	-1.81		Relay (1.0) Calculated Property
logPoct/wat	3.887		Crippen Calculated Property
McVol	236.040	ml/mol	McGowan Calculated Property
Pc	1981.07	kPa	Relay (1.0-beta) Calculated Property
Inp	[2073.00; 2101.00]
Inp	2101.00		NIST
Inp	2073.00		NIST
Inp	2100.00		NIST
Inp	2099.00		NIST
Inp	2099.00		NIST
Inp	2099.00		NIST
Inp	2073.00		NIST
Inp	2101.00		NIST
Tboil	617.39	K	Relay (1.0) Calculated Property
Tc	887.54	K	Relay (1.0) Calculated Property
Tfus	372.85	K	Relay (1.0) Calculated Property
Vc	0.856	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Diphenylpyraline.

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

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