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

• ChemBase ID: 293347
• Molecular Formular: C10H16ClN3
• Molecular Mass: 213.70714
• Monoisotopic Mass: 213.10327521
• SMILES: NCc1cccnc1N1CCCC1.Cl
• Canonical SMILES: NCc1cccnc1N1CCCC1.Cl
• InChI: InChI=1S/C10H15N3.ClH/c11-8-9-4-3-5-12-10(9)13-6-1-2-7-13;/h3-5H,1-2,6-8,11H2;1H
• InChIKey: XCVIPDQBXDCMCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine hydrochloride
• IUPAC Traditional name: [2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine hydrochloride
• Synonyms: (2-(Pyrrolidin-1-yl)pyridin-3-yl)methanamine hydrochloride

Database IDs

• PubChem SID: 180678878
• PubChem CID: 71721345

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

Product Information

• Purity: 95+%