chempirical

1-(p-Chlorophenyl)biguanide monohydrochloride

C8H11Cl2N5CAS 4022-81-5248.11 g/mol

Open in Covalent MOL file
HClNHH2NNHHNHNCl
Aryl halideGuanidine

Properties

Molecular formula
C8H11Cl2N5
Molar mass
248.11 g/mol
Exact mass
247.0392 Da
Melting point
253–254 °C
logP
1.59Crippen estimate
Polar surface area
97.8 Ų
H-bond donors / acceptors
5 / 2
Rotatable bonds
1

Identifiers

CAS number
4022-81-5
SMILES
Cl.N=C(N)NC(=N)Nc1ccc(Cl)cc1
InChIKey
NAFSLMFLGYXGIF-UHFFFAOYSA-N
InChI
InChI=1S/C8H10ClN5.ClH/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H

Weigh it out

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

Names and synonyms

8 names
  • Imidodicarbonimidic diamide, N-(4-chlorophenyl)-, hydrochloride (1:1)
  • Biguanide, 1-(p-chlorophenyl)-, monohydrochloride
  • Imidodicarbonimidic diamide, N-(4-chlorophenyl)-, monohydrochloride
  • N-p-Chlorophenylbiguanide hydrochloride
  • 1-(p-Chlorophenyl)biguanide hydrochloride
  • N-(4-Chlorophenyl)imidodicarbonimidic diamide monohydrochloride
  • [[(4-Chloroanilino)(imino)methyl]amino]methanimidamide hydrochloride
  • 1-(4-Chlorophenyl)biguanide hydrochloride

Work with 1-(p-Chlorophenyl)biguanide monohydrochloride

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-(4-Fluorophenyl)biguanidine hydrochloride16018-83-068 % similar Phenylbiguanide102-02-361 % similar Chlorhexidine hydrochloride3697-42-560 % similar Proguanil500-92-552 % similar Chlorhexidine55-56-152 % similar 1-(2,4-Difluorophenyl)biguanide hydrochloride66088-52-647 % similar Imidodicarbonimidic diamide, N-(2,5-difluorophenyl)-, hydrochloride (1:1)66088-53-747 % similar p-Chlorophenylhydrazine monohydrochloride1073-70-744 % similar

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

Same formula

1-(o-Chlorophenyl)biguanide monohydrochloride19579-44-3 N-m-Chlorophenylbiguanide hydrochloride2113-05-5

Elsewhere

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