benzyl 2-(chloromethyl)morpholine-4-carboxylate

• ChemBase ID: 274010
• Molecular Formular: C13H16ClNO3
• Molecular Mass: 269.72404
• Monoisotopic Mass: 269.08187106
• SMILES: N1(C(=O)OCc2ccccc2)CC(OCC1)CCl
• Canonical SMILES: ClCC1OCCN(C1)C(=O)OCc1ccccc1
• InChI: InChI=1S/C13H16ClNO3/c14-8-12-9-15(6-7-17-12)13(16)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
• InChIKey: WFZGBNJENFMBAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 2-(chloromethyl)morpholine-4-carboxylate
• IUPAC Traditional name: benzyl 2-(chloromethyl)morpholine-4-carboxylate
• Synonyms: benzyl 2-(chloromethyl)morpholine-4-carboxylate

Database IDs

• MDL Number: MFCD18785601
• PubChem SID: 164329920
• PubChem CID: 54592999

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2665846
• LogD (pH = 7.4): 2.2665846
• Log P: 2.2665846
• Molar Refractivity: 68.5835 cm^3
• Polarizability: 26.943592 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.237

Product Information

• Purity: 95%