Chemical Properties of Antazoline (CAS 91-75-8)

InChI

InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)

InChI Key

REYFJDPCWQRWAA-UHFFFAOYSA-N

Formula

C17H19N3

SMILES

c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1

Molecular Weight¹

265.35

CAS

91-75-8

Other Names

• 1H-Imidazole-2-methanamine, 4,5-dihydro-N-phenyl-N-(phenylmethyl)-
• 2-(N-Phenyl-N-benzylaminomethyl)imidazoline
• 2-Imidazoline, 2-[(N-benzylanilino)methyl]-
• 2-Phenyl-benzyl-amino-methylimidazolin
• 2-[(N-Benzylanilino)methyl]-2-imidazoline
• 4,5-Dihydro-N-phenyl-N-phenylmethyl-1H-imidazole-2-methanamine
• 5512-M
• Allergan A
• Analergine
• Antastan
• Antasten
• Antazolin
• Antihistal
• Antistin
• Antistine
• Azalone
• Ben-a-hist
• Histostab
• Imidamine
• Phenazoline

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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	0.6315		Relay (1.0) Calculated Property
ΔfG°	696.94	kJ/mol	Joback Calculated Property
ΔfH°gas	315.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.31	kJ/mol	Joback Calculated Property
ΔvapH°	102.47	kJ/mol	Relay (1.0) Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
log10WS	-2.60		Aq. Solubility Prediction
logPoct/wat	2.695		Crippen Calculated Property
McVol	217.650	ml/mol	McGowan Calculated Property
Pc	2684.64	kPa	Joback Calculated Property
Inp	[2280.00; 2330.00]
Inp	2295.00		NIST
Inp	2320.00		NIST
Inp	2330.00		NIST
Inp	2280.00		NIST
Inp	2315.00		NIST
Inp	2328.00		NIST
Tboil	654.07	K	Relay (1.0) Calculated Property
Tc	968.57	K	Relay (1.0) Calculated Property
Tfus	354.05	K	Relay (1.0) Calculated Property
Vc	0.777	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[649.54; 735.98]	J/mol×K	[780.50; 1042.79]
Cp,gas	649.54	J/mol×K	780.50	Joback Calculated Property
Cp,gas	668.03	J/mol×K	824.21	Joback Calculated Property
Cp,gas	684.73	J/mol×K	867.93	Joback Calculated Property
Cp,gas	699.76	J/mol×K	911.64	Joback Calculated Property
Cp,gas	713.24	J/mol×K	955.36	Joback Calculated Property
Cp,gas	725.27	J/mol×K	999.07	Joback Calculated Property
Cp,gas	735.98	J/mol×K	1042.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Antazoline.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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