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

• ChemBase ID: 131359
• Molecular Formular: C10H24N2O10
• Molecular Mass: 332.30496
• Monoisotopic Mass: 332.14309498
• SMILES: C(C(CO)(CO)N)O.C(C(CO)(CO)N)O.C(=O)(C(=O)O)O
• Canonical SMILES: OC(=O)C(=O)O.OCC(CO)(CO)N.OCC(CO)(CO)N
• InChI: InChI=1S/2C4H11NO3.C2H2O4/c2*5-4(1-6,2-7)3-8;3-1(4)2(5)6/h2*6-8H,1-3,5H2;(H,3,4)(H,5,6)
• InChIKey: MCZHGPZTTLPMRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 108321-13-7
• MDL Number: MFCD00058328
• PubChem SID: 162225637
• PubChem CID: 71308425

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: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3

Product Information

• Grade: reagent grade

DETAILS

Sigma Aldrich - T7258

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