chempirical

1-(o-Chlorophenyl)biguanide monohydrochloride

C8H11Cl2N5CAS 19579-44-3248.11 g/mol

Open in Covalent MOL file
HClNHNH2NHNHHNCl
Aryl halideGuanidine

Properties

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

Identifiers

CAS number
19579-44-3
SMILES
Cl.N=C(N)NC(=N)Nc1ccccc1Cl
InChIKey
KWAQGQJGFPOSRH-UHFFFAOYSA-N
InChI
InChI=1S/C8H10ClN5.ClH/c9-5-3-1-2-4-6(5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H

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Names and synonyms

5 names
  • Imidodicarbonimidic diamide, N-(2-chlorophenyl)-, hydrochloride (1:1)
  • Biguanide, 1-(o-chlorophenyl)-, monohydrochloride
  • Imidodicarbonimidic diamide, N-(2-chlorophenyl)-, monohydrochloride
  • N-o-Chlorophenylbiguanide hydrochloride
  • 1-(2-Chloro-phenyl)-biguanide; hydrochloride

Work with 1-(o-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

O-Tolylbiguanide93-69-659 % similar 1-(2,4-Difluorophenyl)biguanide hydrochloride66088-52-654 % similar Imidodicarbonimidic diamide, N-(2,5-difluorophenyl)-, hydrochloride (1:1)66088-53-754 % similar Phenylbiguanide102-02-354 % similar 1-(4-Fluorophenyl)biguanidine hydrochloride16018-83-050 % similar Phenformin hydrochloride834-28-649 % similar 2-Chlorophenylhydrazine hydrochloride41052-75-947 % similar (2-Chlorophenyl)thiourea5344-82-146 % similar

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

Same formula

N-m-Chlorophenylbiguanide hydrochloride2113-05-5 1-(p-Chlorophenyl)biguanide monohydrochloride4022-81-5

Elsewhere

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