2,6-dimethyl-4-(pyridin-4-yl)morpholine hydrochloride

• ChemBase ID: 257195
• Molecular Formular: C11H17ClN2O
• Molecular Mass: 228.71848
• Monoisotopic Mass: 228.10294085
• SMILES: N1(CC(OC(C1)C)C)c1ccncc1.Cl
• Canonical SMILES: CC1OC(C)CN(C1)c1ccncc1.Cl
• InChI: InChI=1S/C11H16N2O.ClH/c1-9-7-13(8-10(2)14-9)11-3-5-12-6-4-11;/h3-6,9-10H,7-8H2,1-2H3;1H
• InChIKey: XVWNTLZQVWXJOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-(pyridin-4-yl)morpholine hydrochloride
• IUPAC Traditional name: 2,6-dimethyl-4-(pyridin-4-yl)morpholine hydrochloride
• Synonyms: 2,6-dimethyl-4-pyridin-4-ylmorpholine hydrochloride

Database IDs

• MDL Number: MFCD11099614
• PubChem SID: 164313105
• PubChem CID: 43810686

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.49546432
• LogD (pH = 7.4): 0.65014964
• Log P: 1.4782668
• Molar Refractivity: 56.2418 cm^3
• Polarizability: 21.574844 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 198 - 200°C
• Hydrophobicity(logP): 2.052

Product Information

• Purity: 95%