chempirical

4-Phenylazobenzamine monohydrochloride

C12H12ClN3CAS 3457-98-5233.70 g/mol

Open in Covalent MOL file
HClH2NNN
AzoPrimary amine

Properties

Molecular formula
C12H12ClN3
Molar mass
233.70 g/mol
Exact mass
233.0720 Da
logP
4.11Crippen estimate
Polar surface area
50.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
3457-98-5
SMILES
Cl.Nc1ccc(N=Nc2ccccc2)cc1
InChIKey
WMNTYZIRLUBHEE-UHFFFAOYSA-N
InChI
InChI=1S/C12H11N3.ClH/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11;/h1-9H,13H2;1H

Weigh it out

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

Names and synonyms

7 names
  • Benzenamine, 4-(2-phenyldiazenyl)-, hydrochloride (1:1)
  • C.I. Solvent Yellow 1, monohydrochloride
  • Benzenamine, 4-(phenylazo)-, monohydrochloride
  • Aniline, p-phenylazo-, hydrochloride
  • 4-Aminoazobenzene hydrochloride
  • p-Aminoazobenzene hydrochloride
  • 4-(Phenylazo)aniline hydrochloride

Work with 4-Phenylazobenzamine 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

Aniline yellow60-09-386 % similar Chrysoidine532-82-163 % similar Benzenamine hydrochloride (1:1)142-04-161 % similar Azobenzene103-33-355 % similar 1,4-Diaminobenzene dihydrochloride624-18-055 % similar Benzenamine, 4-(phenylmethyl)-, hydrochloride (1:1)6317-57-352 % similar 1,3-Benzenediamine, 4,4′-[1,3-phenylenebis(2,1-diazenediyl)]bis-, hydrochloride (1:2)10114-58-649 % similar 4-[2-(4-Aminophenyl)diazenyl]-N,N-dimethylbenzenamine539-17-348 % similar

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

Elsewhere

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