2-amino-2-(hydroxymethyl)propane-1,3-diol; but-2-enedioic acid

• ChemBase ID: 156016
• Molecular Formular: C8H15NO7
• Molecular Mass: 237.2072
• Monoisotopic Mass: 237.08485183
• SMILES: C(C(CO)(CO)N)O.C(=C\C(=O)O)/C(=O)O
• Canonical SMILES: OC(=O)/C=C/C(=O)O.OCC(CO)(CO)N
• InChI: InChI=1S/C4H11NO3.C4H4O4/c5-4(1-6,2-7)3-8;5-3(6)1-2-4(7)8/h6-8H,1-3,5H2;1-2H,(H,5,6)(H,7,8)
• InChIKey: HTMWOUBCEZXSHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; but-2-enedioic acid
• IUPAC Traditional name: butenedioic acid; tris buffer
• Synonyms: TRIS maleate salt; Tris(hydroxymethyl)aminomethane maleate salt; Tromethamine maleate salt; Trizma® maleate; TRIS 马来酸盐; 三(羟甲基)氨基甲烷 马来酸盐; 缓血酸胺 马来酸盐; Trizma® 马来酸盐

Database IDs

• CAS Number: 72200-76-1
• EC Number: 276-455-6
• MDL Number: MFCD00082442
• PubChem SID: 162250154; 24889840
• PubChem CID: 11241859

CALCULATED PROPERTIES

• Acid pKa: 14.164156
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -5.6058097
• LogD (pH = 7.4): -4.264039
• Log P: -2.712229
• Molar Refractivity: 28.3555 cm^3
• Polarizability: 11.566923 Å^3
• Polar Surface Area: 86.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.5 M at 20 °C, clear; H2O: soluble0.5 M at 20 °C, clear, colorless
• Melting Point: 103-105 °C
• pH: 3.0-4.5 (25 °C, 0.5 M in H2O)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (NT); ≥99.5% (NT)
• Ignition Residue: ≤0.05%
• Impurities: insoluble matter, passes filter test
• Cation Traces: Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Product Line: BioUltra
• abs.: absorption0.5M/328 nm, H2O cut-off
• Linear Formula: NH2C(CH2OH)3 · C4H4O4

DETAILS

Sigma Aldrich - 93328

Legal Information
Trizma is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 93344

Legal Information
Trizma is a registered trademark of Sigma-Aldrich Co. LLC