Chemical Properties of Anabasine (CAS 494-52-0)

InChI

InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2/t10-/m1/s1

InChI Key

MTXSIJUGVMTTMU-SNVBAGLBSA-N

Formula

C10H14N2

SMILES

c1cncc(C2CCCCN2)c1

Molecular Weight¹

162.23

CAS

494-52-0

Other Names

• Pyridine, 3-(2-piperidinyl)-, (S)-
• Piperidine, 2-(3-pyridyl)-
• (-)-Anabasine
• (-)-2-(3'-Pyridyl)piperidine
• Anabasin
• Anabazin
• Neonicotine
• Neonikotin
• (S)-(-)-Anabasine
• L-3-(2'-Piperidyl)pyridine
• Pyridine, 3-(2-piperidyl)-
• 3-(2-Piperidinyl)pyridine
• (S)-Anabasine
• NSC 87504

• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.84		Crippen Calculated Property
logPoct/wat	1.896		Crippen Calculated Property
McVol	137.100	ml/mol	McGowan Calculated Property
Inp	[1525.00; 1525.00]
Inp	1525.00		NIST
Inp	1525.00		NIST
Tboil	549.20	K	NIST

Temperature Dependent Properties

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Anabasine.

Sources

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

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