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

• ChemBase ID: 48431
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: c1(N2CCOCC2)c(CN)cccn1
• Canonical SMILES: NCc1cccnc1N1CCOCC1
• InChI: InChI=1S/C10H15N3O/c11-8-9-2-1-3-12-10(9)13-4-6-14-7-5-13/h1-3H,4-8,11H2
• InChIKey: WPWYMVOGKUNWOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [2-(morpholin-4-yl)pyridin-3-yl]methanamine
• Synonyms: [2-(4-Morpholinyl)-3-pyridinyl]methanamine; [2-(4-Morpholinyl)-3-pyridinyl]methanamine dihydrochloride; (2-Morpholinopyridin-3-yl)MethanaMine; (2-morpholin-4-ylpyridin-3-yl)methylamine

Database IDs

• CAS Number: 870063-29-9
• MDL Number: MFCD03086197
• PubChem SID: 162053194
• PubChem CID: 16790303

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.4939806
• LogD (pH = 7.4): -0.9805575
• Log P: 0.36534277
• Molar Refractivity: 56.1911 cm^3
• Polarizability: 21.26103 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 41 - 43°C
• Partition Coefficient: -0.186
• Hydrophobicity(logP): -0.034

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%
• Salt Data: 2HCl