chempirical

Tris-acetate

C6H15NO5CAS 6850-28-8181.19 g/mol

Open in Covalent MOL file
OOHNH2OHHOOH
AlcoholCarboxylic acidPrimary amine

Properties

Molecular formula
C6H15NO5
Molar mass
181.19 g/mol
Exact mass
181.0950 Da
logP
-2.25Crippen estimate
Polar surface area
124.0 Ų
H-bond donors / acceptors
5 / 5
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6850-28-8
SMILES
CC(=O)O.NC(CO)(CO)CO
InChIKey
PIEPQKCYPFFYMG-UHFFFAOYSA-N
InChI
InChI=1S/C4H11NO3.C2H4O2/c5-4(1-6,2-7)3-8;1-2(3)4/h6-8H,1-3,5H2;1H3,(H,3,4)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, acetate (1:1)
  • 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, acetate (salt)
  • 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, acetate
  • Trizma acetate
  • Tris(hydroxymethyl)aminomethane acetate

Work with Tris-acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Acetic acid64-19-7Free acid (2H3)Acetic (2H)acid1186-52-3Free acid, labelled Tris77-86-1Free base Potassium acetate127-08-2Salt Aluminium diacetate142-03-0Salt Calcium acetate62-54-4Salt Copper(II) acetate142-71-2Salt Lead(II) acetate301-04-2Salt Mercury(II) acetate1600-27-7Salt Aluminium triacetate139-12-8Salt 4-Aminophenylmercuric acetate6283-24-5Salt Basic lead acetate1335-32-6Salt

Similar compounds

Zirconium acetate7585-20-852 % similar Palladium(II) acetate3375-31-346 % similar Antimony acetate3643-76-346 % similar Rhodium acetate42204-14-846 % similar Antimony(III) acetate6923-52-046 % similar 2-Amino-2-ethyl-1,3-propanediol115-70-843 % similar 2-Methyl-L-serine16820-18-139 % similar 2-Methylserine5424-29-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Glucamine488-43-7

Elsewhere

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