6-[1-(aminomethyl)cyclopropyl]pyridin-2-ol

• ChemBase ID: 814776
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: n1c(cccc1C1(CC1)CN)O
• Canonical SMILES: NCC1(CC1)c1cccc(n1)O
• InChI: InChI=1S/C9H12N2O/c10-6-9(4-5-9)7-2-1-3-8(12)11-7/h1-3H,4-6,10H2,(H,11,12)
• InChIKey: MZNPSDARZINDFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[1-(aminomethyl)cyclopropyl]pyridin-2-ol
• IUPAC Traditional name: 6-[1-(aminomethyl)cyclopropyl]pyridin-2-ol
• Synonyms: 6-(1-(aminomethyl)cyclopropyl)pyridin-2-ol

Database IDs

• CAS Number: 1060807-07-9

CALCULATED PROPERTIES

• Acid pKa: 11.794221
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.8361244
• LogD (pH = 7.4): -0.73309654
• Log P: 1.1259934
• Molar Refractivity: 46.1194 cm^3
• Polarizability: 18.120317 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%