benzyl 2-methylmorpholine-4-carboxylate

• ChemBase ID: 292740
• Molecular Formular: C13H17NO3
• Molecular Mass: 235.27898
• Monoisotopic Mass: 235.12084341
• SMILES: CC1CN(CCO1)C(=O)OCc1ccccc1
• Canonical SMILES: CC1OCCN(C1)C(=O)OCc1ccccc1
• InChI: InChI=1S/C13H17NO3/c1-11-9-14(7-8-16-11)13(15)17-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
• InChIKey: BOUIDUCSDPPCPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1217098-31-1
• PubChem SID: 180678271
• PubChem CID: 70700986

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9589026
• LogD (pH = 7.4): 1.9589026
• Log P: 1.9589026
• Molar Refractivity: 63.9888 cm^3
• Polarizability: 25.085297 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%