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

• ChemBase ID: 92548
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: O1CCN(c2nc(ccc2)CN)CC1
• Canonical SMILES: NCc1cccc(n1)N1CCOCC1
• InChI: InChI=1S/C10H15N3O/c11-8-9-2-1-3-10(12-9)13-4-6-14-7-5-13/h1-3H,4-8,11H2
• InChIKey: JRKWUCQBVPZBBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(morpholin-4-yl)pyridin-2-yl]methanamine
• IUPAC Traditional name: [6-(morpholin-4-yl)pyridin-2-yl]methanamine
• Synonyms: (6-morpholinopyrid-2-yl)methylamine; (6-Morpholin-4-ylpyridin-2-yl)methylamine; 2-(Aminomethyl)-6-(morpholin-4-yl)pyridine 95%

Database IDs

• CAS Number: 868755-52-6
• MDL Number: MFCD08435862
• PubChem SID: 162079246
• PubChem CID: 18525737

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.331868
• LogD (pH = 7.4): -0.78357494
• Log P: 0.44681466
• Molar Refractivity: 55.6689 cm^3
• Polarizability: 21.261618 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 136-138°C/0.5mm

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95%