2-amino-1-(morpholin-4-yl)-2-phenylethan-1-one hydrochloride

• ChemBase ID: 260375
• Molecular Formular: C12H17ClN2O2
• Molecular Mass: 256.72858
• Monoisotopic Mass: 256.09785547
• SMILES: C(=O)(N1CCOCC1)C(c1ccccc1)N.Cl
• Canonical SMILES: NC(C(=O)N1CCOCC1)c1ccccc1.Cl
• InChI: InChI=1S/C12H16N2O2.ClH/c13-11(10-4-2-1-3-5-10)12(15)14-6-8-16-9-7-14;/h1-5,11H,6-9,13H2;1H
• InChIKey: FQCBRONXVDSRJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12197188
• PubChem SID: 164316285
• PubChem CID: 45791563

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9597931
• LogD (pH = 7.4): -0.2861717
• Log P: 0.21086292
• Molar Refractivity: 61.0514 cm^3
• Polarizability: 24.070553 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 279 - 281°C
• Hydrophobicity(logP): 1.247

Product Information

• Purity: 95%