Chemical Properties of Phendimetrazine (CAS 634-03-7)

InChI

InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3

InChI Key

MFOCDFTXLCYLKU-UHFFFAOYSA-N

Formula

C12H17NO

SMILES

CC1C(c2ccccc2)OCCN1C

Molecular Weight¹

191.27

CAS

634-03-7

Other Names

• Bontril
• (+)-Phendimetrazine
• Morpholine, 3,4-dimethyl-2-phenyl-, (2S-trans)-
• Morpholine, 3,4-dimethyl-2-phenyl-, (+)-
• (+)-3,4-Dimethyl-2-phenylmorpholine
• D-2-phenyl-3,4-dimethylmorpholine
• Antapentan
• Mephenmetrazine
• Sedafamen
• Adphen (base)
• Bacarate
• (2S,3S)-3,4-Dimethyl-2-phenylmorpholine
• NSC 169187
• (2S-trans)-3,4-Dimethyl-2-phenylmorpholine
• Phendimetracine

• 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.
• 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	0.3733		Relay (1.0) Calculated Property
ΔfG°	169.67	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-42.14	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	70.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-0.45		Relay (1.0) Calculated Property
logPoct/wat	2.078		Crippen Calculated Property
McVol	161.170	ml/mol	McGowan Calculated Property
Pc	2723.55	kPa	Relay (1.0-beta) Calculated Property
Inp	[1431.00; 1507.00]
Inp	1450.00		NIST
Inp	1450.00		NIST
Inp	1485.00		NIST
Inp	1485.00		NIST
Inp	1431.00		NIST
Inp	1445.00		NIST
Inp	1466.00		NIST
Inp	1475.00		NIST
Inp	1482.00		NIST
Inp	1500.00		NIST
Inp	1505.00		NIST
Inp	1507.00		NIST
Inp	1434.00		NIST
Inp	1445.00		NIST
Inp	1444.00		NIST
Inp	1450.00		NIST
Inp	1444.00		NIST
I	[1963.00; 2057.00]
I	1963.00		NIST
I	1963.00		NIST
I	2002.00		NIST
I	2009.00		NIST
I	2017.00		NIST
I	2047.00		NIST
I	2057.00		NIST
Tboil	531.29	K	Relay (1.0) Calculated Property
Tc	752.85	K	Relay (1.0) Calculated Property
Tfus	321.85	K	Relay (1.0) Calculated Property
Vc	0.577	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Phendimetrazine.

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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