1-(2-methoxypyridin-4-yl)cyclopropan-1-amine

• ChemBase ID: 814769
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: C1(CC1)(N)c1cc(ncc1)OC
• Canonical SMILES: COc1nccc(c1)C1(N)CC1
• InChI: InChI=1S/C9H12N2O/c1-12-8-6-7(2-5-11-8)9(10)3-4-9/h2,5-6H,3-4,10H2,1H3
• InChIKey: MSLFJTYXBSUGCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxypyridin-4-yl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(2-methoxypyridin-4-yl)cyclopropan-1-amine
• Synonyms: 1-(2-methoxypyridin-4-yl)cyclopropanamine

Database IDs

• CAS Number: 1060806-99-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2576833
• LogD (pH = 7.4): -1.1704199
• Log P: 0.70746136
• Molar Refractivity: 46.252 cm^3
• Polarizability: 18.266157 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%