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

• ChemBase ID: 132389
• Molecular Formular: C12H28N2O10
• Molecular Mass: 360.35812
• Monoisotopic Mass: 360.17439511
• SMILES: C(CC(=O)O)C(=O)O.C(C(CO)(CO)N)O.C(C(CO)(CO)N)O
• Canonical SMILES: OC(=O)CCC(=O)O.OCC(CO)(CO)N.OCC(CO)(CO)N
• InChI: InChI=1S/2C4H11NO3.C4H6O4/c2*5-4(1-6,2-7)3-8;5-3(6)1-2-4(7)8/h2*6-8H,1-3,5H2;1-2H2,(H,5,6)(H,7,8)
• InChIKey: CFJZQNZZGQDONE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-amino-2-(hydroxymethyl)propane-1,3-diol); butanedioic acid
• IUPAC Traditional name: succinic acid; bis(tris buffer)
• Synonyms: Trizma® succinate; 2-Amino-2-(hydroxymethyl)-1,3-propanediol succinate; Di(tris[hydroxymethyl]aminomethane) succinate; Tris succinate; Tris(hydroxymethyl)aminomethane succinate; 2-氨基-2-(羟甲基)-1,3-丙二醇琥珀酸盐; Tris 琥珀酸盐; 三(羟甲基)氨基甲烷琥珀酸盐; 双(三[羟甲基]氨基甲烷)琥珀酸盐; Trizma® 琥珀酸盐

Database IDs

• CAS Number: 85169-32-0
• EC Number: 285-975-2
• MDL Number: MFCD00058327
• PubChem SID: 162226666; 24900430
• PubChem CID: 3086186

CALCULATED PROPERTIES

• Acid pKa: 3.5541666
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.5536554
• LogD (pH = 7.4): -5.4738803
• Log P: -0.39848298
• Molar Refractivity: 23.537 cm^3
• Polarizability: 9.383458 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99%
• Linear Formula: [NH2C(CH2OH)3]2 · C4H6O4

DETAILS

Sigma Aldrich - T9632

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

Sigma Aldrich - 340685

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