1-(pyridin-2-yl)cyclopropan-1-amine

• ChemBase ID: 806326
• Molecular Formular: C8H10N2
• Molecular Mass: 134.1784
• Monoisotopic Mass: 134.08439833
• SMILES: NC1(CC1)c1ncccc1
• Canonical SMILES: NC1(CC1)c1ccccn1
• InChI: InChI=1S/C8H10N2/c9-8(4-5-8)7-3-1-2-6-10-7/h1-3,6H,4-5,9H2
• InChIKey: HRVLXTZHPZXHTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-yl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(pyridin-2-yl)cyclopropan-1-amine
• Synonyms: 1-PYRIDIN-2-YL-CYCLOPROPYLAMINE

Database IDs

• CAS Number: 503417-37-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1261303
• LogD (pH = 7.4): -0.600674
• Log P: 0.6565254
• Molar Refractivity: 39.1033 cm^3
• Polarizability: 15.757972 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%