methyl({[2-(morpholin-4-yl)pyridin-4-yl]methyl})amine

• ChemBase ID: 88021
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: n1ccc(cc1N1CCOCC1)CNC
• Canonical SMILES: CNCc1ccnc(c1)N1CCOCC1
• InChI: InChI=1S/C11H17N3O/c1-12-9-10-2-3-13-11(8-10)14-4-6-15-7-5-14/h2-3,8,12H,4-7,9H2,1H3
• InChIKey: XXFBCDNRFJGAPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[2-(morpholin-4-yl)pyridin-4-yl]methyl})amine
• IUPAC Traditional name: methyl({[2-(morpholin-4-yl)pyridin-4-yl]methyl})amine
• Synonyms: N-methyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]amine; N-Methyl-1-[2-(morpholin-4-yl)pyridin-4-yl]methylamine; 4-[(Methylamino)methyl]-2-morpholin-4-ylpyridine

Database IDs

• CAS Number: 869901-11-1
• MDL Number: MFCD08271916
• PubChem SID: 162075061
• PubChem CID: 7537571

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.371073
• LogD (pH = 7.4): -1.1686063
• Log P: 0.79792315
• Molar Refractivity: 60.9657 cm^3
• Polarizability: 23.10162 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%