2-methyl-2-(prop-2-enamido)propane-1-sulfonic acid

• ChemBase ID: 125244
• Molecular Formular: C7H13NO4S
• Molecular Mass: 207.24742
• Monoisotopic Mass: 207.0565289
• SMILES: O=C(NC(CS(=O)(=O)O)(C)C)C=C
• Canonical SMILES: C=CC(=O)NC(CS(=O)(=O)O)(C)C
• InChI: InChI=1S/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12)
• InChIKey: XHZPRMZZQOIPDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(prop-2-enamido)propane-1-sulfonic acid
• IUPAC Traditional name: 2-methyl-2-(prop-2-enamido)propane-1-sulfonic acid
• Synonyms: 2-Acrylamido-2-methylpropane sulfonic acid; 2-Acrylamido-2-methylpropanesulfonic acid; 2-Acrylamido-2-methyl-1-propane sulfonic acid; 2-Acrylamido-2-methylpropane sulfonic acid; 2-Acryloylamido-2-methylpropanesulfonic acid monomer; 2-Acrylamido-2-methyl-1-propanesulfonic acid; AMPS; 2-Acrylamido-2-methylpropanesulfonic acid; 2-丙烯酰胺-2-甲基丙磺酸单体; 2-丙烯酰胺基-2-甲基丙磺酸; 2-丙烯酰胺-2-甲基丙烷磺酸

Database IDs

• CAS Number: 15214-89-8
• EC Number: 239-268-0
• MDL Number: MFCD00007522
• Beilstein Number: 1946464
• PubChem SID: 24857066; 162219594
• PubChem CID: 65360
• Chemspider ID: 58836
• Wikipedia Title: 2-Acrylamido-2-methylpropane_sulfonic_acid

CALCULATED PROPERTIES

• Acid pKa: -0.9597047
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.7092283
• LogD (pH = 7.4): -2.709275
• Log P: -1.3867117
• Molar Refractivity: 47.7536 cm^3
• Polarizability: 19.336859 Å^3
• Polar Surface Area: 83.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White crystalline powder or granular particles
• Melting Point: 195 °C (dec.)(lit.); 195°C; 195-200 °C (dec.)(lit.); ca 195°C dec.
• Density: 1.1 g/cm^3 (15.6 °C); 1.10

Safety Information

• Storage Warning: Hygroscopic
• RTECS: TZ6658000
• European Hazard Symbols: Corrosive (C); X; Harmful (Xn)
• UN Number: UN2585
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 22-34; 22-36/37/38; 34
• Safety Statements: 20-26-36/37/39-45; 26; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Warning
• NFPA704:
  

  0

  3

  1
• GHS Hazard statements: H301-H314-H318; H302-H315-H319-H335
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (T); 98%; 99%
• Grade: purum
• Linear Formula: CH2=CHCONHC(CH3)2CH2SO3H; H2C=CHCONHC(CH3)2CH2SO3H

DETAILS

Sigma Aldrich - 282731

Packaging
1 kg in glass bottle
250 g in glass bottle