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

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
593-85-1
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)

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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

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.

Sodium bicarbonate144-55-8Salt Sodium carbonate497-19-8Salt Potassium carbonate584-08-7Salt Sodium percarbonate15630-89-4Salt Calcium carbonate471-34-1Salt Magnesium carbonate546-93-0Salt Lithium carbonate554-13-2Salt White lead1319-46-6Salt Basic copper carbonate12069-69-1Salt Hydrotalcite (mg6(CO3)[al(OH)6]2(OH)4.4H2O)12304-65-3Salt Potassium bicarbonate298-14-6Salt Strontium carbonate1633-05-2Salt

Similar compounds

Zirconium carbonate36577-48-745 % similar Ammonium carbonate carbamate8000-73-544 % similar Ammonium zirconium carbonate22829-17-039 % similar Guanidinium thiocyanate593-84-035 % similar Beta-Guanidinopropionic acid353-09-332 % similar Guanidine hydrochloride-hexamethylenediamine copolymer57028-96-332 % similar Urea57-13-632 % similar Glycocyamine352-97-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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