Chemical Properties of Tacrine (CAS 321-64-2)

InChI

InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)

InChI Key

YLJREFDVOIBQDA-UHFFFAOYSA-N

Formula

C13H14N2

SMILES

N=c1c2c([nH]c3ccccc13)CCCC2

Molecular Weight¹

198.26

CAS

321-64-2

Other Names

• 9-Acridinamine, 1,2,3,4-tetrahydro-
• Acridine, 1,2,3,4-tetrahydro-9-amino-
• 5-Amino-6,7,8,9-tetrahydroacridine
• 9-Amino-1,2,3,4-tetrahydroacridine
• CS 12602
• 1,2,3,4-Tetrahydro-9-acridinamine
• Tetrahydroaminacrine
• Tetrahydroaminoacridine
• Tetrahydroaminocrin
• Tetrahydroaminocrine
• THA
• Acridine, 9-amino-1,2,3,4-tetrahydro-
• Acridine, 9-aminotetrahydro-
• 1,2,3,4-Tetrahydro-9-aminoacridine

• Δ_fH°_gas : Enthalpy of formation 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_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
ΔfH°gas	141.88	kJ/mol	Relay (1.0) Calculated Property
IE	7.53	eV	Relay (1.0) Calculated Property
log10WS	-3.47		Relay (1.0) Calculated Property
logPoct/wat	2.044		Crippen Calculated Property
McVol	159.910	ml/mol	McGowan Calculated Property
Pc	3877.78	kPa	Relay (1.0-beta) Calculated Property
Inp	[2140.00; 2165.00]
Inp	2160.00		NIST
Inp	2140.00		NIST
Inp	2165.00		NIST
Inp	2140.00		NIST
Inp	2160.00		NIST
Tboil	644.84	K	Relay (1.0) Calculated Property
Tc	961.32	K	Relay (1.0) Calculated Property
Tfus	467.42	K	Relay (1.0) Calculated Property
Vc	0.569	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of vaporization 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.

Similar Compounds

Find more compounds similar to Tacrine.

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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