1-(6-methoxypyridin-3-yl)cyclopropan-1-amine

• ChemBase ID: 291358
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: NC1(c2ccc(OC)nc2)CC1
• Canonical SMILES: COc1ccc(cn1)C1(N)CC1
• InChI: InChI=1S/C9H12N2O/c1-12-8-3-2-7(6-11-8)9(10)4-5-9/h2-3,6H,4-5,10H2,1H3
• InChIKey: NLCVUPUPJBMTQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-methoxypyridin-3-yl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(6-methoxypyridin-3-yl)cyclopropan-1-amine
• Synonyms: 1-(6-Methoxypyridin-3-yl)cyclopropanamine

Database IDs

• CAS Number: 1060806-98-5
• MDL Number: MFCD13188752
• PubChem SID: 180676889
• PubChem CID: 70700261

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2522676
• LogD (pH = 7.4): -1.1372145
• Log P: 0.70746136
• Molar Refractivity: 46.252 cm^3
• Polarizability: 18.266457 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%