5-(morpholin-4-yl)pyridin-2-amine

• ChemBase ID: 253793
• Molecular Formular: C9H13N3O
• Molecular Mass: 179.21902
• Monoisotopic Mass: 179.10586205
• SMILES: N1(c2cnc(N)cc2)CCOCC1
• Canonical SMILES: Nc1ccc(cn1)N1CCOCC1
• InChI: InChI=1S/C9H13N3O/c10-9-2-1-8(7-11-9)12-3-5-13-6-4-12/h1-2,7H,3-6H2,(H2,10,11)
• InChIKey: ACYSKLGOADDKAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholin-4-yl)pyridin-2-amine
• IUPAC Traditional name: 5-(morpholin-4-yl)pyridin-2-amine
• Synonyms: 5-morpholin-4-ylpyridin-2-amine

Database IDs

• MDL Number: MFCD09388785
• PubChem SID: 164309703
• PubChem CID: 11367346

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.7271075
• LogD (pH = 7.4): 0.3046764
• Log P: 0.41064838
• Molar Refractivity: 52.4181 cm^3
• Polarizability: 19.043558 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143 - 145°C
• Hydrophobicity(logP): 0.687

Product Information

• Purity: 95%