[1-(2-methoxypyridin-3-yl)cyclopropyl]methanamine

• ChemBase ID: 814778
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(N)C1(CC1)c1c(nccc1)OC
• Canonical SMILES: NCC1(CC1)c1cccnc1OC
• InChI: InChI=1S/C10H14N2O/c1-13-9-8(3-2-6-12-9)10(7-11)4-5-10/h2-3,6H,4-5,7,11H2,1H3
• InChIKey: SRYSGSOPICYOKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methoxypyridin-3-yl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(2-methoxypyridin-3-yl)cyclopropyl]methanamine
• Synonyms: (1-(2-methoxypyridin-3-yl)cyclopropyl)methanamine

Database IDs

• CAS Number: 1060807-12-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.082586
• LogD (pH = 7.4): -1.0141231
• Log P: 0.88603705
• Molar Refractivity: 50.9737 cm^3
• Polarizability: 20.034592 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%