Chemical Properties of Nicotine, 1'-demethyl-, (.+/-.)- (CAS 5746-86-1)

InChI

InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2

InChI Key

MYKUKUCHPMASKF-UHFFFAOYSA-N

Formula

C9H12N2

SMILES

c1cncc(C2CCCN2)c1

Molecular Weight¹

148.21

CAS

5746-86-1

Other Names

• (.+/-.)-1'-Demethylnicotine
• (.+/-.)-Nornicotine
• «beta»-dl-Nornicotine
• (R,S)-Nornicotine
• Pyridine, 3-(2-pyrrolidinyl)-, (.+/-.)-
• Dl-nornicotine

• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 Nicotine, 1'-demethyl-, (.+/-.)-.

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

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