Chemical Properties of 8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, endo- (CAS 120-29-6)

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

CAS

120-29-6

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	-1.13		Crippen 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
Inp	1219.30		NIST
Inp	1183.00		NIST
Tboil	[502.20; 506.20]	K
Tboil	506.20	K	NIST
Tboil	502.20	K	NIST

Similar Compounds

Find more compounds similar to 8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, endo-.

Sources

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

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