(dodecyloxy)sulfonic acid; 2-amino-2-(hydroxymethyl)propane-1,3-diol

• ChemBase ID: 131302
• Molecular Formular: C16H37NO7S
• Molecular Mass: 387.53248
• Monoisotopic Mass: 387.22907353
• SMILES: CCCCCCCCCCCCOS(=O)(=O)O.C(C(CO)(CO)N)O
• Canonical SMILES: OCC(CO)(CO)N.CCCCCCCCCCCCOS(=O)(=O)O
• InChI: InChI=1S/C12H26O4S.C4H11NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;5-4(1-6,2-7)3-8/h2-12H2,1H3,(H,13,14,15);6-8H,1-3,5H2
• InChIKey: TYTUELFFKLZOTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dodecyloxy)sulfonic acid; 2-amino-2-(hydroxymethyl)propane-1,3-diol
• IUPAC Traditional name: tris buffer N-dodecyl sulfate
• Synonyms: Tris lauryl sulfate; Tris(hydroxymethyl)aminomethane lauryl sulfate; Trizma® lauryl sulfate; Trizma® dodecyl sulfate

Database IDs

• CAS Number: 50996-85-5
• EC Number: 256-903-7
• MDL Number: MFCD00043277
• PubChem SID: 24896411; 162225580
• PubChem CID: 11703755

CALCULATED PROPERTIES

• Acid pKa: -1.4508551
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0404696
• LogD (pH = 7.4): 2.0404584
• Log P: 4.4168572
• Molar Refractivity: 68.9347 cm^3
• Polarizability: 28.167126 Å^3
• Polar Surface Area: 63.6 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 42
• Safety Statements: 22-24/25
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H334
• GHS Precautionary statements: P261-P342 + P311
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Description: anionic

DETAILS

Sigma Aldrich - T5144

法律信息
Trizma is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - L5646

法律信息
Trizma is a registered trademark of Sigma-Aldrich Co. LLC