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

• ChemBase ID: 246231
• Molecular Formular: C17H20ClNO2
• Molecular Mass: 305.7992
• Monoisotopic Mass: 305.11825657
• SMILES: c1(c2c(ccc1)cccc2)C(=O)CCN1CCOCC1.Cl
• Canonical SMILES: O=C(c1cccc2c1cccc2)CCN1CCOCC1.Cl
• InChI: InChI=1S/C17H19NO2.ClH/c19-17(8-9-18-10-12-20-13-11-18)16-7-3-5-14-4-1-2-6-15(14)16;/h1-7H,8-13H2;1H
• InChIKey: FCTUJROSGBBVPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD23144257
• PubChem SID: 164302141
• PubChem CID: 45262629

CALCULATED PROPERTIES

• Acid pKa: 15.492194
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4733967
• LogD (pH = 7.4): 2.3883228
• Log P: 2.4303808
• Molar Refractivity: 80.1139 cm^3
• Polarizability: 32.31583 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.985

Product Information

• Purity: 95%