chempirical

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

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)

Weigh it out

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

Similar compounds

Acetic acid64-19-760 % similar Hydrazinium acetate7335-65-159 % similar Diguanidinium carbonate593-85-154 % similar Palladium(II) acetate3375-31-352 % similar Antimony acetate3643-76-352 % similar Rhodium acetate42204-14-852 % similar Beryllium acetate543-81-752 % similar Ammonium acetate631-61-852 % similar

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

Elsewhere

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