CAS 68123-29-5|bis(2-amino-2-(hydroxymethyl)propane-1,3-diol); carbonic acid|TRIS CARBONATE|Di(tris[hydroxymethyl]aminomethane) carbonate salt|soda; bis(tris buffer)|Tris(hydroxymethyl)aminomethane ...

General Information

Structure

Molecular Formula

C₉H₂₄N₂O₉

Molecular Mass

304.29486

Exact Mass

304.14818036

Charge

InChI

InChI=1S/2C4H11NO3.CH2O3/c2*5-4(1-6,2-7)3-8;2-1(3)4/h2*6-8H,1-3,5H2;(H2,2,3,4)

InChIKey

GYQWVHROHDZXRS-UHFFFAOYSA-N

Canonic Smiles

OC(=O)O.OCC(CO)(CO)N.OCC(CO)(CO)N

Isomeric Smiles

NC(CO)(CO)CO.NC(CO)(CO)CO.OC(=O)O

Calculated Properties

JChem

Acid pKa

14.164156

H Acceptors

H Donor

LogD (pH = 5.5)

-5.6058097

LogD (pH = 7.4)

-4.264039

Log P

-2.712229

Molar Refractivity

28.3555

Polarizability

11.566923

Polar Surface Area

86.71

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

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

Synonyms

TRIS CARBONATEDi(tris[hydroxymethyl]aminomethane) carbonate saltTris(hydroxymethyl)aminomethane carbonate saltTrizma® carbonateTRIS 碳酸盐三(羟甲基)氨基甲烷碳酸盐双(三[羟甲基]氨基甲烷) 碳酸盐Trizma® 碳酸盐TRIS carbonate

IUPAC Traditional name

soda; bis(tris buffer)

Names and Identifiers

Registration numbers

CAS Number

EC Number

PubChem SID

MDL Number