3-(morpholin-4-yl)-1-(naphthalen-2-yl)propan-1-one hydrochloride

• ChemBase ID: 246229
• Molecular Formular: C17H20ClNO2
• Molecular Mass: 305.7992
• Monoisotopic Mass: 305.11825657
• SMILES: c1(C(=O)CCN2CCOCC2)cc2c(cc1)cccc2.Cl
• Canonical SMILES: O=C(c1ccc2c(c1)cccc2)CCN1CCOCC1.Cl
• InChI: InChI=1S/C17H19NO2.ClH/c19-17(7-8-18-9-11-20-12-10-18)16-6-5-14-3-1-2-4-15(14)13-16;/h1-6,13H,7-12H2;1H
• InChIKey: MFZAKRPMEJALDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(morpholin-4-yl)-1-(naphthalen-2-yl)propan-1-one hydrochloride
• IUPAC Traditional name: 3-(morpholin-4-yl)-1-(naphthalen-2-yl)propan-1-one hydrochloride
• Synonyms: 3-(morpholin-4-yl)-1-(naphthalen-2-yl)propan-1-one hydrochloride

Database IDs

• MDL Number: MFCD00111282
• PubChem SID: 164302139
• PubChem CID: 2807049

CALCULATED PROPERTIES

• Acid pKa: 15.629807
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.565067
• LogD (pH = 7.4): 2.3970006
• Log P: 2.4303808
• Molar Refractivity: 80.1139 cm^3
• Polarizability: 32.313374 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191 - 193°C
• Hydrophobicity(logP): 2.985

Product Information

• Purity: 95%