Guanidinium acetate

C3H9N3O2CAS 593-87-3119.12 g/mol

Open in Covalent MOL file
OOHNHH2NNH2
Carboxylic acidGuanidine

Properties

Molecular formula
C3H9N3O2
Molar mass
119.12 g/mol
Exact mass
119.0695 Da
Melting point
229–300 °C
logP
-1.07Crippen estimate
Polar surface area
113.2 Ų
H-bond donors / acceptors
4 / 2
Rotatable bonds
0

Hazards

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

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Identifiers

CAS number
593-87-3
SMILES
CC(=O)O.N=C(N)N
InChIKey
DXTIKTAIYCJTII-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.CH5N3/c1-2(3)4;2-1(3)4/h1H3,(H,3,4);(H5,2,3,4)

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

Names and synonyms

4 names
  • Guanidine, acetate (1:1)
  • Guanidine, monoacetate
  • Guanidine, acetate
  • Guanidinium monoacetate

Work with Guanidinium 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 Potassium acetate127-08-2Salt Aluminium diacetate142-03-0Salt Calcium acetate62-54-4Salt Copper(II) acetate142-71-2Salt Mercury(II) acetate1600-27-7Salt Lead(II) acetate301-04-2Salt Aluminium triacetate139-12-8Salt 4-Aminophenylmercuric acetate6283-24-5Salt Basic lead acetate1335-32-6Salt Cobalt(II) acetate71-48-7Salt

Similar compounds

Palladium(II) acetate3375-31-352 % similar Antimony acetate3643-76-352 % similar Rhodium acetate42204-14-852 % similar Antimony(III) acetate6923-52-052 % similar Zirconium acetate7585-20-852 % similar Guanidinium thiocyanate593-84-031 % similar Urea phosphoric acid4861-19-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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