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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• 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
ΔfusH°	39.31	kJ/mol	Joback 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
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
Tfus	350.31	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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[649.63; 736.04]	J/mol×K	[780.70; 1043.05]
Cp,gas	649.63	J/mol×K	780.70	Joback Calculated Property
Cp,gas	668.12	J/mol×K	824.43	Joback Calculated Property
Cp,gas	684.81	J/mol×K	868.15	Joback Calculated Property
Cp,gas	699.84	J/mol×K	911.88	Joback Calculated Property
Cp,gas	713.31	J/mol×K	955.60	Joback Calculated Property
Cp,gas	725.34	J/mol×K	999.33	Joback Calculated Property
Cp,gas	736.04	J/mol×K	1043.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Antazoline.

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
• Joback 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.
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