chempirical

Diguanidinium carbonate

C2H7N3O3CAS 593-85-1121.10 g/mol

Open in Covalent MOL file
NHH2NNH2OHOOH
CarbonateGuanidine

Properties

Molecular formula
C2H7N3O3
Molar mass
121.10 g/mol
Exact mass
121.0487 Da
logP
-0.94Crippen estimate
Polar surface area
133.4 Ų
H-bond donors / acceptors
5 / 2
Rotatable bonds
0

Identifiers

CAS number
593-85-1
SMILES
N=C(N)N.O=C(O)O
InChIKey
KMSRVXJGTIRNNK-UHFFFAOYSA-N
InChI
InChI=1S/CH5N3.CH2O3/c2*2-1(3)4/h(H5,2,3,4);(H2,2,3,4)

Weigh it out

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

Names and synonyms

4 names
  • Carbonic acid, compd. with guanidine (1:2)
  • Guanidine, carbonate (2:1)
  • Guanidinium carbonate
  • Bisguanidinium carbonate

Work with Diguanidinium carbonate

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

Guanidinium acetate593-87-354 % similar Diguanidine phosphate5423-23-448 % similar Carbamidinium sulfate1184-68-546 % similar Guanidinium sulfate594-14-946 % similar Ammonium polycarbonate10361-29-245 % similar Ammonium bicarbonate1066-33-745 % similar Zirconium carbonate36577-48-745 % similar Guanidinium chloride50-01-145 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook