chempirical

N-m-Chlorophenylbiguanide hydrochloride

C8H11Cl2N5CAS 2113-05-5248.11 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
Melting point
208 °C
logP
1.59Crippen estimate
Polar surface area
97.8 Ų
H-bond donors / acceptors
5 / 2
Rotatable bonds
1

Identifiers

CAS number
2113-05-5
SMILES
Cl.N=C(N)NC(=N)Nc1cccc(Cl)c1
InChIKey
FOWAIJYHRWFTHR-UHFFFAOYSA-N
InChI
InChI=1S/C8H10ClN5.ClH/c9-5-2-1-3-6(4-5)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

4 names
  • Imidodicarbonimidic diamide, N-(3-chlorophenyl)-, hydrochloride (1:1)
  • Biguanide, 1-(m-chlorophenyl)-, monohydrochloride
  • Imidodicarbonimidic diamide, N-(3-chlorophenyl)-, monohydrochloride
  • 1-(3-Chlorophenyl)biguanide hydrochloride

Work with N-m-Chlorophenylbiguanide 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

Phenylbiguanide102-02-361 % similar 1-(4-Fluorophenyl)biguanidine hydrochloride16018-83-056 % similar 3-Chlorophenylhydrazine hydrochloride2312-23-449 % similar N-(3-Chlorophenyl)thiourea4947-89-148 % similar 1-(2,4-Difluorophenyl)biguanide hydrochloride66088-52-647 % similar Imidodicarbonimidic diamide, N-(2,5-difluorophenyl)-, hydrochloride (1:1)66088-53-747 % similar Phenformin hydrochloride834-28-645 % similar O-Tolylbiguanide93-69-643 % similar

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

Same formula

1-(o-Chlorophenyl)biguanide monohydrochloride19579-44-3 1-(p-Chlorophenyl)biguanide monohydrochloride4022-81-5

Elsewhere

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