4-(3-sulfonatopropyl)morpholin-4-ium

• ChemBase ID: 105810
• Molecular Formular: C7H15NO4S
• Molecular Mass: 209.2633
• Monoisotopic Mass: 209.07217897
• SMILES: [O-]S(=O)(=O)CCC[NH+]1CCOCC1
• Canonical SMILES: [O-]S(=O)(=O)CCC[NH+]1CCOCC1
• InChI: InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)
• InChIKey: DVLFYONBTKHTER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-sulfonatopropyl)morpholin-4-ium
• IUPAC Traditional name: C7H15NO4S
• Synonyms: 3-[N-Morpholino]propanesulfonic acid; MOPS

Database IDs

• CAS Number: 1132-61-2
• EC Number: 214-478-5
• PubChem SID: 162088985
• PubChem CID: 2723950

CALCULATED PROPERTIES

• Acid pKa: -0.9625623
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.441244
• LogD (pH = 7.4): -2.9075754
• Log P: -2.4259691
• Molar Refractivity: 58.5095 cm^3
• Polarizability: 19.689657 Å^3
• Polar Surface Area: 70.87 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 277°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: QE9104530
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39

Product Information

• Purity: ≥99%

DETAILS

MP Biomedicals - 02194837

Molecular Biology Reagent Purity: 99+% Free Acid Useful buffer range: 6.5-7.9

MP Biomedicals - 02194551

Cell Culture Reagent
Crystalline
Free Acid
Useful buffer range: 6.5-7.9