2-(6-methylpyridin-2-yl)morpholine dihydrochloride

• ChemBase ID: 62853
• Molecular Formular: C10H16Cl2N2O
• Molecular Mass: 251.15284
• Monoisotopic Mass: 250.0639685
• SMILES: n1c(C2OCCNC2)cccc1C.Cl.Cl
• Canonical SMILES: Cc1cccc(n1)C1OCCNC1.Cl.Cl
• InChI: InChI=1S/C10H14N2O.2ClH/c1-8-3-2-4-9(12-8)10-7-11-5-6-13-10;;/h2-4,10-11H,5-7H2,1H3;2*1H
• InChIKey: IEGVZXLLJQLVQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methylpyridin-2-yl)morpholine dihydrochloride
• IUPAC Traditional name: 2-(6-methylpyridin-2-yl)morpholine dihydrochloride
• Synonyms: 2-(6-Methyl-pyridin-2-yl)-morpholine dihydrochloride

Database IDs

• MDL Number: MFCD21606121
• PubChem SID: 162028592
• PubChem CID: 71298855

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7686563
• LogD (pH = 7.4): -0.05127253
• Log P: 0.5202201
• Molar Refractivity: 50.0382 cm^3
• Polarizability: 20.043985 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false