Chemical Properties of Brolamfetamine (CAS 64638-07-9)

InChI

InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3

InChI Key

FXMWUTGUCAKGQL-UHFFFAOYSA-N

Formula

C11H16BrNO2

SMILES

COc1cc(CC(C)N)c(OC)cc1Br

Molecular Weight¹

274.15

CAS

64638-07-9

Other Names

• 4-Bromo-2,5-dimethoxyamphetamine
• (.+/-.)-2,5-Dimethoxy-4-bromoamphetamine
• DOB
• (.+/-.)-4-Bromo-2,5-dimethoxy-«alpha»-methylphenethylamine
• 1-(4-Bromo-2,5-dimethoxyphenyl)-2-propanamine
• 2,5-Dimethoxy-4-bromoamphetamine

• 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).
• 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
ΔfG°	-6.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-277.85	kJ/mol	Joback Calculated Property
ΔfusH°	26.46	kJ/mol	Joback Calculated Property
ΔvapH°	65.85	kJ/mol	Joback Calculated Property
IE	[7.30; 7.94]	eV
IE	7.30	eV	NIST
IE	7.94 ± 0.06	eV	NIST
IE	7.94	eV	NIST
log10WS	-3.64		Crippen Calculated Property
logPoct/wat	2.356		Crippen Calculated Property
McVol	181.310	ml/mol	McGowan Calculated Property
Pc	2805.41	kPa	Joback Calculated Property
Tboil	675.79	K	Joback Calculated Property
Tc	902.07	K	Joback Calculated Property
Tfus	450.23	K	Joback Calculated Property
Vc	0.664	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[451.33; 520.80]	J/mol×K	[675.79; 902.07]
Cp,gas	451.33	J/mol×K	675.79	Joback Calculated Property
Cp,gas	464.96	J/mol×K	713.50	Joback Calculated Property
Cp,gas	477.76	J/mol×K	751.22	Joback Calculated Property
Cp,gas	489.75	J/mol×K	788.93	Joback Calculated Property
Cp,gas	500.91	J/mol×K	826.64	Joback Calculated Property
Cp,gas	511.26	J/mol×K	864.36	Joback Calculated Property
Cp,gas	520.80	J/mol×K	902.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Brolamfetamine.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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