2-[2-(morpholin-4-yl)phenyl]acetamide hydrochloride

• ChemBase ID: 54274
• Molecular Formular: C12H17ClN2O2
• Molecular Mass: 256.72858
• Monoisotopic Mass: 256.09785547
• SMILES: C(=O)(Cc1ccccc1N1CCOCC1)N.Cl
• Canonical SMILES: NC(=O)Cc1ccccc1N1CCOCC1.Cl
• InChI: InChI=1S/C12H16N2O2.ClH/c13-12(15)9-10-3-1-2-4-11(10)14-5-7-16-8-6-14;/h1-4H,5-9H2,(H2,13,15);1H
• InChIKey: KAGOHFHDUKOYGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(morpholin-4-yl)phenyl]acetamide hydrochloride
• IUPAC Traditional name: 2-[2-(morpholin-4-yl)phenyl]acetamide hydrochloride
• Synonyms: 2-(Morpholin-4'-yl)phenylacetamide hydrochloride

Database IDs

• MDL Number: MFCD18384860
• PubChem SID: 162059037
• PubChem CID: 56832336

CALCULATED PROPERTIES

• Acid pKa: 16.39837
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6935839
• LogD (pH = 7.4): 0.69359475
• Log P: 0.6935949
• Molar Refractivity: 62.6909 cm^3
• Polarizability: 23.688875 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%