4-(2-iodoethyl)morpholin-4-ium chloride

• ChemBase ID: 802345
• Molecular Formular: C6H13ClINO
• Molecular Mass: 277.53099
• Monoisotopic Mass: 276.97303972
• SMILES: C1COCC[NH+]1CCI.[Cl-]
• Canonical SMILES: ICC[NH+]1CCOCC1.[Cl-]
• InChI: InChI=1S/C6H12INO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H
• InChIKey: HHBYQAHEPOIELB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-iodoethyl)morpholin-4-ium chloride
• IUPAC Traditional name: 4-(2-iodoethyl)morpholin-4-ium chloride
• Synonyms: 4-(2-IODOETHYL)MORPHOLIN-4-IUM CHLORIDE

Database IDs

• CAS Number: 126200-24-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.72322845
• LogD (pH = 7.4): 1.0886519
• Log P: 1.0960244
• Molar Refractivity: 57.809 cm^3
• Polarizability: 18.339142 Å^3
• Polar Surface Area: 13.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%