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

• ChemBase ID: 797695
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: C(N)c1cncc(c1)N1CCOCC1
• Canonical SMILES: NCc1cncc(c1)N1CCOCC1
• InChI: InChI=1S/C10H15N3O/c11-6-9-5-10(8-12-7-9)13-1-3-14-4-2-13/h5,7-8H,1-4,6,11H2
• InChIKey: MZTJFKPDTTVFRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(morpholin-4-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [5-(morpholin-4-yl)pyridin-3-yl]methanamine
• Synonyms: (5-Morpholinopyridin-3-yl)MethanaMine

Database IDs

• CAS Number: 1211519-07-1

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1920855
• LogD (pH = 7.4): -2.0642858
• Log P: -0.22911477
• Molar Refractivity: 55.8776 cm^3
• Polarizability: 21.26081 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%