Chemical Properties of Benzeneethanamine, 3,4-dimethoxy- (CAS 120-20-7)

InChI

InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3

InChI Key

ANOUKFYBOAKOIR-UHFFFAOYSA-N

Formula

C10H15NO2

SMILES

COc1ccc(CCN)cc1OC

Molecular Weight¹

181.23

CAS

120-20-7

Other Names

• Phenethylamine, 3,4-dimethoxy-
• «beta»-(3,4-Dimethoxyphenyl)ethylamine
• DIMPEA
• DMPE
• DMPEA
• Homoveratrylamine
• 2-(3,4-Dimethoxyphenyl)ethylamine
• 3,4-Dimethoxybenzeneethanamine
• 3,4-Dimethoxyphenethylamine
• Benzenethanamine, 3,4-dimethoxy-
• 3,4-Dimethoxyphenylethylamine
• Dimethoxydopamine
• Dimethoxyphenylethylamine
• Dopamine dimethyl ether
• 3,4-Dimethoxy-«beta»-phenethylamine
• 3,4-Dimethoxy-«beta»-phenylethylamine
• 3,4-Dimethoxyphenylethylamine(base)
• 3,4-Di-O-methyldopamine
• O,O-Dimethyldopamine
• 3,4-Dimethoxypheneethylamine
• Dimethylmescaline
• NSC 16948

• 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_boilr : Boiling point at reduced pressure (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	0.6432		Relay (1.0) Calculated Property
ΔfG°	-17.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-237.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.49	kJ/mol	Joback Calculated Property
ΔvapH°	76.38	kJ/mol	Relay (1.0) Calculated Property
IE	[7.40; 8.03]	eV
IE	7.40	eV	NIST
IE	8.03	eV	NIST
IE	8.03 ± 0.16	eV	NIST
log10WS	-1.41		Relay (1.0) Calculated Property
logPoct/wat	1.205		Crippen Calculated Property
McVol	149.720	ml/mol	McGowan Calculated Property
Pc	2909.25	kPa	Joback Calculated Property
Inp	1551.00		NIST
Tboil	559.44	K	Relay (1.0) Calculated Property
Tc	751.36	K	Relay (1.0) Calculated Property
Tfus	365.29	K	Relay (1.0) Calculated Property
Vc	0.536	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[364.65; 437.30]	J/mol×K	[582.21; 795.30]
Cp,gas	364.65	J/mol×K	582.21	Joback Calculated Property
Cp,gas	378.45	J/mol×K	617.72	Joback Calculated Property
Cp,gas	391.58	J/mol×K	653.24	Joback Calculated Property
Cp,gas	404.04	J/mol×K	688.75	Joback Calculated Property
Cp,gas	415.81	J/mol×K	724.27	Joback Calculated Property
Cp,gas	426.90	J/mol×K	759.78	Joback Calculated Property
Cp,gas	437.30	J/mol×K	795.30	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[460.50; 461.20]	K	[2.00; 2.00]
Tboilr	461.20	K	2.00	NIST
Tboilr	460.50 ± 0.50	K	2.00	NIST

Similar Compounds

Find more compounds similar to Benzeneethanamine, 3,4-dimethoxy-.

Sources

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

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