Chemical Properties of 1-Methyl-1,2,3,6-tetrahydropyridine (CAS 694-55-3)

InChI

InChI=1S/C6H11N/c1-7-5-3-2-4-6-7/h2-3H,4-6H2,1H3

InChI Key

AUFIRGPROMANKW-UHFFFAOYSA-N

Formula

C6H11N

SMILES

CN1CC=CCC1

Molecular Weight¹

97.16

CAS

694-55-3

Other Names

• Pyridine, 1,2,3,6-tetrahydro-1-methyl-
• N-Methyl-1,2,5,6-tetrahydropyridine
• 1-Methyl-3-piperideine
• 1,2,3,4-tetrahydro-1-methylpyridine

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	8.67 ± 0.05	eV	NIST
logPoct/wat	0.878		Crippen Calculated Property
McVol	90.220	ml/mol	McGowan Calculated Property
I	[1030.00; 1030.00]
I	1030.00		NIST
I	1030.00		NIST

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Similar Compounds

Find more compounds similar to 1-Methyl-1,2,3,6-tetrahydropyridine.

Sources

• 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

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