4-[2-(pyrrolidin-1-yl)ethyl]pyridine

• ChemBase ID: 84602
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: N1(CCc2ccncc2)CCCC1
• Canonical SMILES: C1CCN(C1)CCc1ccncc1
• InChI: InChI=1S/C11H16N2/c1-2-9-13(8-1)10-5-11-3-6-12-7-4-11/h3-4,6-7H,1-2,5,8-10H2
• InChIKey: GNJYGFKCUMGKOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(pyrrolidin-1-yl)ethyl]pyridine
• IUPAC Traditional name: 4-[2-(pyrrolidin-1-yl)ethyl]pyridine
• Synonyms: 4-(2-Tetrahydro-1H-pyrrol-1-ylethyl)pyridine 97%; 4-(2-tetrahydro-1H-pyrrol-1-ylethyl)pyridine

Database IDs

• CAS Number: 67580-65-8
• MDL Number: MFCD00020858
• PubChem SID: 162071718
• PubChem CID: 238432

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.9874808
• LogD (pH = 7.4): -0.45250177
• Log P: 1.3914288
• Molar Refractivity: 54.7398 cm^3
• Polarizability: 21.218098 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 120-124°C/4mm

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%