4-benzoyl-2-methylmorpholine

• ChemBase ID: 292739
• Molecular Formular: C12H15NO2
• Molecular Mass: 205.253
• Monoisotopic Mass: 205.11027873
• SMILES: CC1CN(CCO1)C(=O)c1ccccc1
• Canonical SMILES: CC1OCCN(C1)C(=O)c1ccccc1
• InChI: InChI=1S/C12H15NO2/c1-10-9-13(7-8-15-10)12(14)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
• InChIKey: GNRLUWOCKFSFIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-benzoyl-2-methylmorpholine
• IUPAC Traditional name: 4-benzoyl-2-methylmorpholine
• Synonyms: (2-Methylmorpholino)(phenyl)methanone

Database IDs

• CAS Number: 19202-03-0
• PubChem SID: 180678270
• PubChem CID: 12294089

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4693127
• LogD (pH = 7.4): 1.4693128
• Log P: 1.4693128
• Molar Refractivity: 58.4231 cm^3
• Polarizability: 22.330042 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%