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

• ChemBase ID: 48876
• Molecular Formular: C13H19ClN2O2
• Molecular Mass: 270.75516
• Monoisotopic Mass: 270.11350554
• SMILES: C(=O)(N1CCOCC1)C(Cc1ccccc1)N.Cl
• Canonical SMILES: NC(C(=O)N1CCOCC1)Cc1ccccc1.Cl
• InChI: InChI=1S/C13H18N2O2.ClH/c14-12(10-11-4-2-1-3-5-11)13(16)15-6-8-17-9-7-15;/h1-5,12H,6-10,14H2;1H
• InChIKey: YTFJJZDVDWBIJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562124
• PubChem SID: 162053639
• PubChem CID: 22284379

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8919522
• LogD (pH = 7.4): -0.19796471
• Log P: 0.49952412
• Molar Refractivity: 65.8064 cm^3
• Polarizability: 25.91495 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