4-benzyl-2-methylmorpholine hydrochloride

• ChemBase ID: 292737
• Molecular Formular: C12H18ClNO
• Molecular Mass: 227.73042
• Monoisotopic Mass: 227.10769188
• SMILES: Cl.CC1CN(Cc2ccccc2)CCO1
• Canonical SMILES: CC1OCCN(C1)Cc1ccccc1.Cl
• InChI: InChI=1S/C12H17NO.ClH/c1-11-9-13(7-8-14-11)10-12-5-3-2-4-6-12;/h2-6,11H,7-10H2,1H3;1H
• InChIKey: NOIMVDHMGWLGBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 144053-96-3
• PubChem SID: 180678268
• PubChem CID: 70700987

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+%