1-(pyridin-3-yl)cyclopropan-1-amine

• ChemBase ID: 806325
• Molecular Formular: C8H10N2
• Molecular Mass: 134.1784
• Monoisotopic Mass: 134.08439833
• SMILES: NC1(CC1)c1cnccc1
• Canonical SMILES: NC1(CC1)c1cccnc1
• InChI: InChI=1S/C8H10N2/c9-8(3-4-8)7-2-1-5-10-6-7/h1-2,5-6H,3-4,9H2
• InChIKey: NCKHUCRTBXQWHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-3-yl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(pyridin-3-yl)cyclopropan-1-amine
• Synonyms: 1-PYRIDIN-3-YL-CYCLOPROPYLAMINE

Database IDs

• CAS Number: 503417-38-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6896713
• LogD (pH = 7.4): -1.5683202
• Log P: 0.27067506
• Molar Refractivity: 39.4753 cm^3
• Polarizability: 15.75696 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%