3-amino-1-(morpholin-4-yl)-3-phenylpropan-1-one hydrochloride

• ChemBase ID: 243484
• Molecular Formular: C13H19ClN2O2
• Molecular Mass: 270.75516
• Monoisotopic Mass: 270.11350554
• SMILES: C(=O)(CC(c1ccccc1)N)N1CCOCC1.Cl
• Canonical SMILES: NC(c1ccccc1)CC(=O)N1CCOCC1.Cl
• InChI: InChI=1S/C13H18N2O2.ClH/c14-12(11-4-2-1-3-5-11)10-13(16)15-6-8-17-9-7-15;/h1-5,12H,6-10,14H2;1H
• InChIKey: SQRCLAHLWAMXFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22578680
• PubChem SID: 164299394
• PubChem CID: 67550505

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -2.501884
• LogD (pH = 7.4): -0.9943089
• Log P: 0.29568642
• Molar Refractivity: 65.6757 cm^3
• Polarizability: 25.912575 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.654

Product Information

• Purity: 95%