1-(6-methoxypyridin-2-yl)cyclopropan-1-amine

• ChemBase ID: 814768
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: C1(CC1)(N)c1nc(ccc1)OC
• Canonical SMILES: COc1cccc(n1)C1(N)CC1
• InChI: InChI=1S/C9H12N2O/c1-12-8-4-2-3-7(11-8)9(10)5-6-9/h2-4H,5-6,10H2,1H3
• InChIKey: ZLKHFZIJLCDLJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-methoxypyridin-2-yl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(6-methoxypyridin-2-yl)cyclopropan-1-amine
• Synonyms: 1-(6-methoxypyridin-2-yl)cyclopropanamine

Database IDs

• CAS Number: 1060806-97-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6916943
• LogD (pH = 7.4): -0.16924931
• Log P: 1.0933117
• Molar Refractivity: 45.88 cm^3
• Polarizability: 18.267437 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%