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

• ChemBase ID: 102815
• Molecular Formular: C8H24N2O10S
• Molecular Mass: 340.34856
• Monoisotopic Mass: 340.11516598
• SMILES: NC(CO)(CO)CO.NC(CO)(CO)CO.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.OCC(CO)(CO)N.OCC(CO)(CO)N
• InChI: InChI=1S/2C4H11NO3.H2O4S/c2*5-4(1-6,2-7)3-8;1-5(2,3)4/h2*6-8H,1-3,5H2;(H2,1,2,3,4)
• InChIKey: OLJBMOUMSAPNML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-amino-2-(hydroxymethyl)propane-1,3-diol); sulfuric acid
• IUPAC Traditional name: sulfuric acid; bis(tris buffer)
• Synonyms: Trizma® hemisulfate; Bis(tris[hydroxymethyl]aminomethane) sulfate; Tris(hydroxymethyl)aminomethane hemisulfate salt; TRIS HEMISULFATE; TRIS 半硫酸盐; 三(羟甲基)氨基甲烷 半硫酸盐; 双(三[羟甲基]氨基甲烷)硫酸盐; Trizma® 半硫酸盐

Database IDs

• CAS Number: 6992-38-7
• EC Number: 230-259-7
• MDL Number: MFCD00039107
• Beilstein Number: 3718745
• PubChem SID: 162088768; 24900523
• PubChem CID: 3083991

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

• Storage Condition: Room Temperature (15-30°C)
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99%

DETAILS

MP Biomedicals - 02103135

Purity: 99+%
Crystalline

Sigma Aldrich - T8379

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