Chemical Properties of Furfurylamphetamine (CAS 23656-74-8)

InChI

InChI=1S/C14H17NO/c1-12(10-13-6-3-2-4-7-13)15-11-14-8-5-9-16-14/h2-9,12,15H,10-11H2,1H3

InChI Key

XWWSVBIGONHVQI-UHFFFAOYSA-N

Formula

C14H17NO

SMILES

CC(Cc1ccccc1)NCc1ccco1

Molecular Weight¹

215.29

CAS

23656-74-8

• ω : Acentric Factor.
• 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	0.5078		Relay (1.0) Calculated Property
ΔfH°gas	30.29	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	81.34	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-1.53		Relay (1.0) Calculated Property
logPoct/wat	3.000		Crippen Calculated Property
McVol	180.750	ml/mol	McGowan Calculated Property
Pc	2549.40	kPa	Relay (1.0-beta) Calculated Property
Inp	[1617.00; 1630.00]
Inp	1617.00		NIST
Inp	1623.00		NIST
Inp	1630.00		NIST
I	[2271.00; 2281.00]
I	2271.00		NIST
I	2278.00		NIST
I	2281.00		NIST
I	2271.00		NIST
Tboil	571.23	K	Relay (1.0) Calculated Property
Tc	787.92	K	Relay (1.0) Calculated Property
Tfus	313.70	K	Relay (1.0) Calculated Property
Vc	0.672	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to Furfurylamphetamine.

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

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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