Guanidinium chloride

CH6ClN3CAS 50-01-195.53 g/mol

Open in Covalent MOL file
HClNHH2NNH2
Guanidine

Properties

Molecular formula
CH6ClN3
Molar mass
95.53 g/mol
Exact mass
95.0250 Da
Density
1.3 g/mL
Melting point
178 °C
Water solubility
2,150 g/L (20 °C)
logP
-0.74Crippen estimate
Polar surface area
75.9 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 607-148-00-0), via PubChem.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
50-01-1
SMILES
Cl.N=C(N)N
InChIKey
PJJJBBJSCAKJQF-UHFFFAOYSA-N
InChI
InChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H

Weigh it out

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

Names and synonyms

6 names
  • Guanidine, hydrochloride (1:1)
  • Guanidine, monohydrochloride
  • Guanidine chloride
  • Guanidinium hydrochloride
  • Guanidine hydrochloride
  • Buffer AL

Work with Guanidinium chloride

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.

Guanidine nitrate506-93-4Salt Diguanidine phosphate5423-23-4Salt Diguanidinium carbonate593-85-1Salt Guanidine sulfamate51528-20-2Salt Carbamidinium sulfate1184-68-5Salt Guanidinium sulfate594-14-9Salt Guanidinium acetate593-87-3Salt

Similar compounds

Guanidine hydrochloride-hexamethylenediamine copolymer57028-96-360 % similar Guanidinium thiocyanate593-84-043 % similar Acediamine hydrochloride124-42-542 % similar 1,1′-Dithiodiformamidine hydrochloride14807-75-142 % similar Chloroformamidine hydrochloride29671-92-942 % similar Urea hydrochloride506-89-842 % similar Aminoguanidinium chloride16139-18-738 % similar Aminoguanidinium chloride1937-19-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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