chempirical

Aminoguanidine hemisulfate

CH8N4O4SCAS 996-19-0172.16 g/mol

Open in Covalent MOL file
NHH2NNHNH2OSOHOOH
GuanidinePrimary amine

Properties

Molecular formula
CH8N4O4S
Molar mass
172.16 g/mol
Exact mass
172.0266 Da
logP
-2.31Crippen estimate
Polar surface area
162.5 Ų
H-bond donors / acceptors
6 / 4
Rotatable bonds
0

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
996-19-0
SMILES
N=C(N)NN.O=S(=O)(O)O
InChIKey
XLONNWGCEFSFTN-UHFFFAOYSA-N
InChI
InChI=1S/CH6N4.H2O4S/c2-1(3)5-4;1-5(2,3)4/h4H2,(H4,2,3,5);(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

3 names
  • Hydrazinecarboximidamide, sulfate (2:1)
  • Guanidine, amino-, sulfate (2:1)
  • Bis(aminoguanidinium) sulfate

Work with Aminoguanidine hemisulfate

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.

Aminoguanidine bicarbonate2582-30-1Salt Aminoguanidine nitrate10308-82-4Salt Aminoguanidinium chloride1937-19-5Salt Aminoguanidinium chloride16139-18-7Salt Aminoguanidine sulfate1068-42-4

Similar compounds

1,4-Diguanidinobutane sulfate14923-17-258 % similar Diuretamidine sulfate591-01-558 % similar Semicarbazide sulfate101366-35-255 % similar Carbamidinium sulfate1184-68-552 % similar Guanidinium sulfate594-14-952 % similar Agmatine sulfate2482-00-050 % similar Guanethidine monosulfate645-43-247 % similar O-Methylpseudourea sulfate29427-58-547 % similar

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

Elsewhere

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