4-benzyl-2-methylmorpholine

• ChemBase ID: 292736
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: CC1CN(Cc2ccccc2)CCO1
• Canonical SMILES: CC1OCCN(C1)Cc1ccccc1
• InChI: InChI=1S/C12H17NO/c1-11-9-13(7-8-14-11)10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
• InChIKey: IZIHKVIKLYFELH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-benzyl-2-methylmorpholine
• IUPAC Traditional name: 4-benzyl-2-methylmorpholine
• Synonyms: 4-Benzyl-2-methylmorpholine

Database IDs

• CAS Number: 32730-38-4
• PubChem SID: 180678267
• PubChem CID: 12294088

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.08370039
• LogD (pH = 7.4): 1.7363615
• Log P: 2.1127172
• Molar Refractivity: 58.094 cm^3
• Polarizability: 22.883991 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%