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

• ChemBase ID: 89626
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: n1c(cccc1N1CCCC1)CN
• Canonical SMILES: NCc1cccc(n1)N1CCCC1
• InChI: InChI=1S/C10H15N3/c11-8-9-4-3-5-10(12-9)13-6-1-2-7-13/h3-5H,1-2,6-8,11H2
• InChIKey: HBEJFAYJKXYWKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(pyrrolidin-1-yl)pyridin-2-yl]methanamine
• IUPAC Traditional name: [6-(pyrrolidin-1-yl)pyridin-2-yl]methanamine
• Synonyms: (6-pyrrolidin-1-ylpyrid-2-yl)methylamine; (6-Pyrrolidin-1-ylpyridin-2-yl)methylamine; 2-(Aminomethyl)-6-(pyrrolidin-1-yl)pyridine

Database IDs

• CAS Number: 868755-49-1
• MDL Number: MFCD09064947
• PubChem SID: 162076491
• PubChem CID: 24229484

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7091585
• LogD (pH = 7.4): -0.16040604
• Log P: 1.0711125
• Molar Refractivity: 54.1354 cm^3
• Polarizability: 20.575401 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 130-135°C/0.2mm

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%