Chemical Properties of Phentermine (CAS 122-09-8)

InChI

InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3

InChI Key

DHHVAGZRUROJKS-UHFFFAOYSA-N

Formula

C10H15N

SMILES

CC(C)(N)Cc1ccccc1

Molecular Weight¹

149.23

CAS

122-09-8

Other Names

• .alpha.,.alpha.-dimethylbenzeneethanamine
• 1,1-dimethyl-2-phenylethylamine
• 2-Phenyl-tert-butylamine
• 2-methyl-1-phenylpropan-2-amine
• Apidex P
• Benzeneethanamine, alpha,alpha-dimethyl-
• Benzeneethanamine, «alpha»,«alpha»-dimethyl-
• Benzethanamine, «alpha»,«alpha»-dimethyl
• Duromine
• Ethanamine, 1,1-dimethyl-2-phenyl-
• Inoamin
• Ionamin
• Linyl
• Lipopill
• Lonamin
• Mirapront
• Normephentermine
• Omnibex
• Phenethylamine, «alpha»,«alpha»-dimethyl-
• Phenyl-tert-butylamine
• Rcra waste number P046
• Wilpo
• «alpha»,«alpha»-Dimethyl-«beta»-phenylethylamine
• «alpha»,«alpha»-Dimethylbenzeneethanamine
• «alpha»,«alpha»-Dimethylphenethylamine
• «alpha»-Benzylisopropylamine

• 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).
• P_vap : Vapor 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	0.4675		Relay (1.0) Calculated Property
ΔfG°	215.02	kJ/mol	Joback Calculated Property
ΔfH°gas	10.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.48	kJ/mol	Joback Calculated Property
ΔvapH°	57.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.47	eV	Relay (1.0) Calculated Property
log10WS	-2.01		Relay (1.0) Calculated Property
logPoct/wat	1.966		Crippen Calculated Property
McVol	137.980	ml/mol	McGowan Calculated Property
Pc	3188.33	kPa	Joback Calculated Property
Inp	[195.47; 1191.00]
Inp	1155.00		NIST
Inp	1174.00		NIST
Inp	1173.00		NIST
Inp	1168.00		NIST
Inp	1168.00		NIST
Inp	1140.00		NIST
Inp	1130.00		NIST
Inp	1173.40		NIST
Inp	1159.00		NIST
Inp	1138.00		NIST
Inp	1130.00		NIST
Inp	1152.00		NIST
Inp	1177.00		NIST
Inp	1183.00		NIST
Inp	1191.00		NIST
Inp	1147.00		NIST
Inp	1148.00		NIST
Inp	1138.00		NIST
Inp	1138.00		NIST
Inp	1152.00		NIST
Inp	1130.00		NIST
Inp	1147.00		NIST
Inp	Outlier 195.74		NIST
Inp	Outlier 195.47		NIST
Inp	1155.00		NIST
Inp	1140.00		NIST
Inp	1152.00		NIST
I	[1566.00; 1649.00]
I	1573.00		NIST
I	1573.00		NIST
I	1566.00		NIST
I	1629.00		NIST
I	1638.00		NIST
I	1649.00		NIST
Tboil	478.33	K	Relay (1.0) Calculated Property
Tc	695.40	K	Relay (1.0) Calculated Property
Tfus	266.31	K	Relay (1.0) Calculated Property
Vc	0.499	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[319.43; 400.07]	J/mol×K	[524.18; 754.29]
Cp,gas	319.43	J/mol×K	524.18	Joback Calculated Property
Cp,gas	335.58	J/mol×K	562.53	Joback Calculated Property
Cp,gas	350.55	J/mol×K	600.88	Joback Calculated Property
Cp,gas	364.41	J/mol×K	639.23	Joback Calculated Property
Cp,gas	377.24	J/mol×K	677.58	Joback Calculated Property
Cp,gas	389.10	J/mol×K	715.93	Joback Calculated Property
Cp,gas	400.07	J/mol×K	754.29	Joback Calculated Property
Pvap	0.04	kPa	298.15	The Vaporization Enthalpies and Vapor Pressures of Some Primary Amines of Pharmaceutical Importance by Correlation Gas Chromatography

Similar Compounds

Find more compounds similar to Phentermine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• The Vaporization Enthalpies and Vapor Pressures of Some Primary Amines of Pharmaceutical Importance by Correlation Gas Chromatography
• Joback Method
• McGowan Method
• NIST Webbook

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