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

• ChemBase ID: 294622
• Molecular Formular: C9H13N3O
• Molecular Mass: 179.21902
• Monoisotopic Mass: 179.10586205
• SMILES: Nc1cc(ncc1)N1CCOCC1
• Canonical SMILES: Nc1ccnc(c1)N1CCOCC1
• InChI: InChI=1S/C9H13N3O/c10-8-1-2-11-9(7-8)12-3-5-13-6-4-12/h1-2,7H,3-6H2,(H2,10,11)
• InChIKey: ZSXQDGMZXKOADT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)pyridin-4-amine
• IUPAC Traditional name: 2-(morpholin-4-yl)pyridin-4-amine
• Synonyms: 2-Morpholinopyridin-4-amine; 2-(4-MORPHOLINYL)-4-PYRIDINYLAMINE

Database IDs

• CAS Number: 35980-77-9
• MDL Number: MFCD02945666
• PubChem SID: 180680153
• PubChem CID: 23818810

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0789045
• LogD (pH = 7.4): -1.0126927
• Log P: 0.41064838
• Molar Refractivity: 52.4181 cm^3
• Polarizability: 19.040474 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%