bis(2-amino-2-(hydroxymethyl)propane-1,3-diol); phosphoric acid

• ChemBase ID: 133047
• Molecular Formular: C8H25N2O10P
• Molecular Mass: 340.265261
• Monoisotopic Mass: 340.12468164
• SMILES: C(C(CO)(CO)N)O.C(C(CO)(CO)N)O.OP(=O)(O)O
• Canonical SMILES: OP(=O)(O)O.OCC(CO)(CO)N.OCC(CO)(CO)N
• InChI: InChI=1S/2C4H11NO3.H3O4P/c2*5-4(1-6,2-7)3-8;1-5(2,3)4/h2*6-8H,1-3,5H2;(H3,1,2,3,4)
• InChIKey: MYASHAYBKIUKNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-amino-2-(hydroxymethyl)propane-1,3-diol); phosphoric acid
• IUPAC Traditional name: phosphoric acid; bis(tris buffer)
• Synonyms: Trizma® phosphate dibasic; 双(三[羟甲基]氨基甲烷)磷酸盐; Trizma® 磷酸盐 二元

Database IDs

• CAS Number: 108321-11-5
• MDL Number: MFCD00058326
• PubChem SID: 162227324; 24900203
• PubChem CID: 16220019

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: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Grade: reagent grade

DETAILS

Sigma Aldrich - T4258

法律信息
Trizma 注册商标 Sigma-Aldrich Co. LLC