[6-(morpholin-4-yl)pyridin-3-yl]methanamine

• ChemBase ID: 48562
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: c1(N2CCOCC2)ncc(cc1)CN
• Canonical SMILES: NCc1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C10H15N3O/c11-7-9-1-2-10(12-8-9)13-3-5-14-6-4-13/h1-2,8H,3-7,11H2
• InChIKey: QXGZUDFSJASRPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(morpholin-4-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [6-(morpholin-4-yl)pyridin-3-yl]methanamine
• Synonyms: (6-Morpholin-4-ylpyridin-3-yl)methylamine 95%; (6-Morpholinopyridin-3-yl)methanamine; (6-morpholin-4-ylpyridin-3-yl)methylamine; [6-(4-Morpholinyl)-3-pyridinyl]methanamine

Database IDs

• CAS Number: 771572-26-0
• MDL Number: MFCD06213528
• PubChem SID: 162053325
• PubChem CID: 16227380

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6303542
• LogD (pH = 7.4): -1.4972895
• Log P: 0.36534277
• Molar Refractivity: 56.1911 cm^3
• Polarizability: 21.260817 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 47 - 49°C
• Hydrophobicity(logP): -0.034

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%