Chemical Properties of Benzeneacetonitrile, .alpha.-[(1-methyl-2-phenylethyl)amino]-

InChI

InChI=1S/C17H18N2/c1-14(12-15-8-4-2-5-9-15)19-17(13-18)16-10-6-3-7-11-16/h2-11,14,17,19H,12H2,1H3

InChI Key

NFHVTCJKAHYEQN-UHFFFAOYSA-N

Formula

C17H18N2

SMILES

CC(Cc1ccccc1)NC(C#N)c1ccccc1

Molecular Weight¹

250.35

Other Names

• AN 1
• AN 1 (pharmaceutical)
• Acetonitrile, [(«alpha»-methylphenethyl)amino]phenyl-
• Amfetaminil
• Amphetaminil
• Aponeuron
• Benzeneacetonitrile, «alpha»-[(1-methyl-2-phenylethyl)amino]-
• N-(«alpha»-Methylphenethyl)-2-phenylglycinonitrile
• N-(«beta»-Phenylisopropyl)-«alpha»-aminophenylacetonitrile
• NSC 67172
• [(«alpha»-Methylphenethyl)amino]phenylacetonitrile
• dl-Amphetaminil
• «alpha»-Phenyl-«alpha»(«beta»-phenylisopropylamino)acetonitrile
• «alpha»-Phenyl-«alpha»-(1-methyl-2-phenyl)ethylaminoacetonitrile
• «alpha»-Phenyl-«alpha»-(1-phenylisopropyl)aminoacetonitrile
• «alpha»-Phenyl-«alpha»-N-(1-phenylisopropyl)aminoacetonitrile

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[268.53; 673.77]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.79490e+01
Coefficient B			1.48382e+00
Coefficient C			-9.87400e-04
Coefficient D			2.45300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	268.53	J/mol×K	273.00	Calculated Property
Cp,gas	344.27	J/mol×K	353.78	Calculated Property
Cp,gas	410.52	J/mol×K	434.56	Calculated Property
Cp,gas	468.06	J/mol×K	515.33	Calculated Property
Cp,gas	517.66	J/mol×K	596.11	Calculated Property
Cp,gas	560.10	J/mol×K	676.89	Calculated Property
Cp,gas	596.16	J/mol×K	757.67	Calculated Property
Cp,gas	626.60	J/mol×K	838.44	Calculated Property
Cp,gas	652.22	J/mol×K	919.22	Calculated Property
Cp,gas	673.77	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetonitrile, .alpha.-[(1-methyl-2-phenylethyl)amino]-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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