Guanabenz acetate

C10H12Cl2N4O2CAS 23256-50-0291.13 g/mol

Open in Covalent MOL file
OOHNHH2NHNNClCl
Aryl halideCarboxylic acidGuanidineHydrazone

Properties

Molecular formula
C10H12Cl2N4O2
Molar mass
291.13 g/mol
Exact mass
290.0337 Da
Melting point
227–229 °C (decomposes)
logP
1.90Crippen estimate
Polar surface area
111.6 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
23256-50-0
SMILES
CC(=O)O.N=C(N)NN=Cc1c(Cl)cccc1Cl
InChIKey
MCSPBPXATWBACD-UHFFFAOYSA-N
InChI
InChI=1S/C8H8Cl2N4.C2H4O2/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12;1-2(3)4/h1-4H,(H4,11,12,14);1H3,(H,3,4)

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

Names and synonyms

12 names
  • Hydrazinecarboximidamide, 2-[(2,6-dichlorophenyl)methylene]-, acetate (1:1)
  • Guanidine, [(2,6-dichlorobenzylidene)amino]-, monoacetate
  • Hydrazinecarboximidamide, 2-[(2,6-dichlorophenyl)methylene]-, monoacetate
  • [(2,6-Dichlorobenzylidene)amino]guanidine acetate
  • Wy 8678 acetate
  • 1-(2,6-Dichlorobenzylideneamino)guanidine acetate
  • BR 750
  • Wytensin
  • Guanabenz monoacetate
  • Rexitene
  • Tenelid
  • Wytens

Work with Guanabenz acetate

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.

Acetic acid64-19-7Free acid (2H3)Acetic (2H)acid1186-52-3Free acid, labelled Potassium acetate127-08-2Salt Aluminium diacetate142-03-0Salt Calcium acetate62-54-4Salt Copper(II) acetate142-71-2Salt Mercury(II) acetate1600-27-7Salt Lead(II) acetate301-04-2Salt Aluminium triacetate139-12-8Salt 4-Aminophenylmercuric acetate6283-24-5Salt Basic lead acetate1335-32-6Salt Cobalt(II) acetate71-48-7Salt

Similar compounds

2-[Cyano(2,3-dichlorophenyl)methylene]hydrazinecarboximidamide84689-20-336 % similar 2-[(2-Chlorophenyl)methylene]hydrazinecarbothioamide5706-78-535 % similar 2,6-Dichlorobenzaldehyde oxime25185-95-935 % similar Phenylguanidine bicarbonate6685-76-335 % similar 3-(2,6-Dichlorophenyl)-2-propenoic acid5345-89-134 % similar 1-(o-Chlorophenyl)biguanide monohydrochloride19579-44-332 % similar 3-Chloropyridine-2-carboxylic acid57266-69-031 % similar (E)-4-(2-Chloro-6-fluoro-phenyl)-but-3-en-2-one175136-82-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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