chempirical

Creatinine hydrochloride

C4H8ClN3OCAS 19230-81-0149.58 g/mol

Open in Covalent MOL file
NONHHNHCl

Properties

Molecular formula
C4H8ClN3O
Molar mass
149.58 g/mol
Exact mass
149.0356 Da
Melting point
283–285 °C (decomposes)
logP
0.24Crippen estimate
Polar surface area
59.7 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Identifiers

CAS number
19230-81-0
SMILES
CN1CC(O)=NC1=N.Cl
InChIKey
PJYONPGZTHDDJM-UHFFFAOYSA-N
InChI
InChI=1S/C4H7N3O.ClH/c1-7-2-3(8)6-4(7)5;/h2H2,1H3,(H2,5,6,8);1H

Weigh it out

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

Names and synonyms

6 names
  • 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-, hydrochloride (1:1)
  • Creatinine, monohydrochloride
  • 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-, monohydrochloride
  • 2-Imidazolin-4-one, 2-amino-1-methyl-, monohydrochloride
  • 2-Amino-1-methyl-1,5-dihydroimidazol-4-one hydrochloride
  • 2-Imino-1-methylimidazolidin-4-one hydrochloride

Work with Creatinine hydrochloride

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

1-Methylhydantoin616-04-648 % similar 1-Aminohydantoin hydrochloride2827-56-741 % similar 1-Aminohydantoin6301-02-632 % similar Cardioxane149003-01-032 % similar Dimethylglycine hydrochloride2491-06-731 % similar 2-(Dimethylamino)thioacetamide hydrochloride27366-72-931 % similar Creatine57-00-130 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook