2,6-dimethylmorpholine-4-sulfonyl chloride

• ChemBase ID: 34484
• Molecular Formular: C6H12ClNO3S
• Molecular Mass: 213.68238
• Monoisotopic Mass: 213.02264193
• SMILES: C1C(OC(CN1S(=O)(=O)Cl)C)C
• Canonical SMILES: CC1OC(C)CN(C1)S(=O)(=O)Cl
• InChI: InChI=1S/C6H12ClNO3S/c1-5-3-8(12(7,9)10)4-6(2)11-5/h5-6H,3-4H2,1-2H3
• InChIKey: IOHUKINMPIUAFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylmorpholine-4-sulfonyl chloride
• IUPAC Traditional name: 2,6-dimethylmorpholine-4-sulfonyl chloride
• Synonyms: 2,6-Dimethylmorpholine-4-sulfonyl chloride; 2,6-dimethyl-4-morpholinesulfonyl chloride

Database IDs

• CAS Number: 919026-20-3
• MDL Number: MFCD08444962
• PubChem SID: 160997791
• PubChem CID: 16228393

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.41097006
• LogD (pH = 7.4): 0.41097006
• Log P: 0.41097006
• Molar Refractivity: 46.5834 cm^3
• Polarizability: 19.125319 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C
• Hydrophobicity(logP): 0.648

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%