1-(2-methylpyridin-3-yl)cyclopropan-1-amine

• ChemBase ID: 814702
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: C1(CC1)(N)c1c(nccc1)C
• Canonical SMILES: Cc1ncccc1C1(N)CC1
• InChI: InChI=1S/C9H12N2/c1-7-8(3-2-6-11-7)9(10)4-5-9/h2-3,6H,4-5,10H2,1H3
• InChIKey: NYSJAPQQHCVWTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylpyridin-3-yl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(2-methylpyridin-3-yl)cyclopropan-1-amine
• Synonyms: 1-(2-methylpyridin-3-yl)cyclopropanamine

Database IDs

• CAS Number: 1060806-12-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5713756
• LogD (pH = 7.4): -1.4617671
• Log P: 0.40204525
• Molar Refractivity: 44.0668 cm^3
• Polarizability: 17.524183 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%