3-cyclopropylpyridin-4-amine

• ChemBase ID: 797213
• Molecular Formular: C8H10N2
• Molecular Mass: 134.1784
• Monoisotopic Mass: 134.08439833
• SMILES: n1cc(c(cc1)N)C1CC1
• Canonical SMILES: Nc1ccncc1C1CC1
• InChI: InChI=1S/C8H10N2/c9-8-3-4-10-5-7(8)6-1-2-6/h3-6H,1-2H2,(H2,9,10)
• InChIKey: HGSPDLKFWHOTQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropylpyridin-4-amine
• IUPAC Traditional name: 3-cyclopropylpyridin-4-amine
• Synonyms: 3-Cyclopropylpyridin-4-aMine

Database IDs

• CAS Number: 1338998-82-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.27666473
• LogD (pH = 7.4): -0.22511142
• Log P: 0.7079307
• Molar Refractivity: 40.9901 cm^3
• Polarizability: 15.283182 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%