3-amino-1-(morpholin-4-yl)-2-phenylpropan-1-one hydrochloride

• ChemBase ID: 269093
• Molecular Formular: C13H19ClN2O2
• Molecular Mass: 270.75516
• Monoisotopic Mass: 270.11350554
• SMILES: C(=O)(C(c1ccccc1)CN)N1CCOCC1.Cl
• Canonical SMILES: NCC(C(=O)N1CCOCC1)c1ccccc1.Cl
• InChI: InChI=1S/C13H18N2O2.ClH/c14-10-12(11-4-2-1-3-5-11)13(16)15-6-8-17-9-7-15;/h1-5,12H,6-10,14H2;1H
• InChIKey: FMOHPQOPKSFULI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16990626
• PubChem SID: 164325003
• PubChem CID: 50988687

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6170318
• LogD (pH = 7.4): -1.1191441
• Log P: 0.18823649
• Molar Refractivity: 66.0624 cm^3
• Polarizability: 25.91331 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 203 - 205°C
• Hydrophobicity(logP): 0.821

Product Information

• Purity: 95%