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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.49	kJ/mol	Joback Calculated Property
ΔvapH°	77.95	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
Inp	1551.00		NIST
Tboil	559.44	K	Relay (1.0) Calculated Property
Tfus	361.66	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[364.73; 437.37]	J/mol×K	[582.41; 795.57]
Cp,gas	364.73	J/mol×K	582.41	Joback Calculated Property
Cp,gas	378.53	J/mol×K	617.94	Joback Calculated Property
Cp,gas	391.66	J/mol×K	653.46	Joback Calculated Property
Cp,gas	404.12	J/mol×K	688.99	Joback Calculated Property
Cp,gas	415.89	J/mol×K	724.52	Joback Calculated Property
Cp,gas	426.98	J/mol×K	760.04	Joback Calculated Property
Cp,gas	437.37	J/mol×K	795.57	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)
• 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
• Joback 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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