Chemical Properties of Tropine

InChI

InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3

InChI Key

CYHOMWAPJJPNMW-UHFFFAOYSA-N

Formula

C8H15NO

SMILES

CN1C2CCC1CC(O)C2

Molecular Weight¹

141.21

Other Names

• Tropine
• 1«alpha»H,5«alpha»H-Tropan-3«alpha»-ol
• Tropin
• 2,3-Dihydro-3«alpha»-hydroxytropidine
• 3«alpha»-Tropanol
• endo-8-Azabicyclo[3.2.1]-3-octanol, 8-methyl-
• N-Tropine (trans)
• Tropanol
• 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, endo-
• 8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, (3-endo)-
• NSC 43870
• 8-Azabicyclo[3.2.1]octanol, 8-methyl-
• 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	8.10 ± 0.15	eV	NIST
log10WS	0.08		Relay (1.0) Calculated Property
logPoct/wat	0.604		Crippen Calculated Property
McVol	117.710	ml/mol	McGowan Calculated Property
Inp	[1167.00; 1955.10]
Inp	1183.00		NIST
Inp	1180.00		NIST
Inp	1219.30		NIST
Inp	Outlier 1955.10		NIST
Inp	1226.30		NIST
Inp	1167.00		NIST
Inp	1193.00		NIST
Tboil	[502.20; 506.20]	K
Tboil	506.20	K	NIST
Tboil	502.20	K	NIST

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 Tropine.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.