[2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine

• ChemBase ID: 48427
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: c1(N2CCCC2)c(CN)cccn1
• Canonical SMILES: NCc1cccnc1N1CCCC1
• InChI: InChI=1S/C10H15N3/c11-8-9-4-3-5-12-10(9)13-6-1-2-7-13/h3-5H,1-2,6-8,11H2
• InChIKey: VMMFMWFKCCKFII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine
• Synonyms: (2-pyrrolidin-1-ylpyrid-3-yl)methylamine; [2-(1-Pyrrolidinyl)-3-pyridinyl]methanamine

Database IDs

• CAS Number: 859850-79-6
• MDL Number: MFCD08690249
• PubChem SID: 162053190
• PubChem CID: 16794395

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8744982
• LogD (pH = 7.4): -0.35817918
• Log P: 0.98964065
• Molar Refractivity: 54.6576 cm^3
• Polarizability: 20.5748 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 90%