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

• ChemBase ID: 815098
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: C1(CC1)(N)c1nccc(c1)OC
• Canonical SMILES: COc1ccnc(c1)C1(N)CC1
• InChI: InChI=1S/C9H12N2O/c1-12-7-2-5-11-8(6-7)9(10)3-4-9/h2,5-6H,3-4,10H2,1H3
• InChIKey: JNFHHLBILFBZLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1060805-23-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2419612
• LogD (pH = 7.4): -0.6678804
• Log P: 0.49885413
• Molar Refractivity: 45.5665 cm^3
• Polarizability: 18.261189 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%