ethyl[1-(pyridin-3-yl)ethyl]amine

• ChemBase ID: 168687
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: c1cncc(c1)C(NCC)C
• Canonical SMILES: CCNC(c1cccnc1)C
• InChI: InChI=1S/C9H14N2/c1-3-11-8(2)9-5-4-6-10-7-9/h4-8,11H,3H2,1-2H3
• InChIKey: DKNOPKLVHKNERI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[1-(pyridin-3-yl)ethyl]amine
• IUPAC Traditional name: ethyl[1-(pyridin-3-yl)ethyl]amine
• Synonyms: (±)-N-Ethyl-α-methyl-3-pyridinemethanamine; (±)-3-[1-(Ethylamino)ethyl]pyridine; N-Ethyl-α-methyl-3-pyridinemethanamine; ethyl[1-(pyridin-3-yl)ethyl]amine

Database IDs

• CAS Number: 5746-54-3
• MDL Number: MFCD09941689
• PubChem SID: 162262819
• PubChem CID: 14619192

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0683603
• LogD (pH = 7.4): -0.88450646
• Log P: 1.0873052
• Molar Refractivity: 46.3165 cm^3
• Polarizability: 18.34281 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.851

Product Information

• Purity: 95%

DETAILS

Toronto Research Chemicals - E925165

A pyridine derivative used in the preparation of nicotine analogs as potential insecticides.