2-(chloromethyl)-4-methylmorpholine

• ChemBase ID: 267750
• Molecular Formular: C6H12ClNO
• Molecular Mass: 149.61858
• Monoisotopic Mass: 149.06074169
• SMILES: N1(CC(OCC1)CCl)C
• Canonical SMILES: CN1CC(CCl)OCC1
• InChI: InChI=1S/C6H12ClNO/c1-8-2-3-9-6(4-7)5-8/h6H,2-5H2,1H3
• InChIKey: UTYOOBRKCYPDAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-4-methylmorpholine
• IUPAC Traditional name: 2-(chloromethyl)-4-methylmorpholine
• Synonyms: 2-(chloromethyl)-4-methylmorpholine

Database IDs

• MDL Number: MFCD16622039
• PubChem SID: 164323660
• PubChem CID: 47003107

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.53841364
• LogD (pH = 7.4): 0.6151617
• Log P: 0.69592595
• Molar Refractivity: 38.0761 cm^3
• Polarizability: 15.117181 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.899

Product Information

• Purity: 95%