2-({3-[(1,3-dihydroxypropan-2-yl)(hydroxymethyl)amino]propyl}(hydroxymethyl)amino)propane-1,3-diol

• ChemBase ID: 105853
• Molecular Formular: C11H26N2O6
• Molecular Mass: 282.33394
• Monoisotopic Mass: 282.17908656
• SMILES: OCC(CO)N(CO)CCCN(CO)C(CO)CO
• Canonical SMILES: OCN(C(CO)CO)CCCN(C(CO)CO)CO
• InChI: InChI=1S/C11H26N2O6/c14-4-10(5-15)12(8-18)2-1-3-13(9-19)11(6-16)7-17/h10-11,14-19H,1-9H2
• InChIKey: SQQNFYSQWFSTJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({3-[(1,3-dihydroxypropan-2-yl)(hydroxymethyl)amino]propyl}(hydroxymethyl)amino)propane-1,3-diol
• IUPAC Traditional name: 2-({3-[(1,3-dihydroxypropan-2-yl)(hydroxymethyl)amino]propyl}(hydroxymethyl)amino)propane-1,3-diol
• Synonyms: Bis-Tris Propane; 1,3-Bis[tris(hydroxymethyl)methylamino]propane; 1,3-bis[tris(Hydroxymethyl)methyl-amino]-propane; bis-TRIS PROPANE; 1,3-双[三(羟甲基)甲基胺]丙烷

Database IDs

• CAS Number: 64431-96-5
• EC Number: 264-899-3
• MDL Number: MFCD00004689
• PubChem SID: 162093119
• PubChem CID: 7566740

CALCULATED PROPERTIES

• Acid pKa: 13.697493
• H Acceptors: 8
• H Donor: 6
• LogD (pH = 5.5): -6.440691
• LogD (pH = 7.4): -4.2889733
• Log P: -3.5321023
• Molar Refractivity: 69.5858 cm^3
• Polarizability: 27.889399 Å^3
• Polar Surface Area: 127.86 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 168-170°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• TSCA Listed: 否

Product Information

• Purity: ≥99%; 98+%

DETAILS

MP Biomedicals - 02194809

Molecular Biology Reagent
Purity: >99%
pKa₁ =6.8, pKa₂ = 9.0 at 25°C.
Useful pH range 6.3-9.5.