Variamine blue

C13H15ClN2OCAS 3566-44-7250.73 g/mol

Open in Covalent MOL file
ONHNH2HCl
EtherPrimary amineSecondary amine

Properties

Molecular formula
C13H15ClN2O
Molar mass
250.73 g/mol
Exact mass
250.0873 Da
logP
3.44Crippen estimate
Polar surface area
47.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number
3566-44-7
SMILES
COc1ccc(Nc2ccc(N)cc2)cc1.Cl
InChIKey
HPQQXLXIGHOKNZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H14N2O.ClH/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11;/h2-9,15H,14H2,1H3;1H

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

Names and synonyms

8 names
  • 1,4-Benzenediamine, N1-(4-methoxyphenyl)-, hydrochloride (1:1)
  • p-Phenylenediamine, N-(p-methoxyphenyl)-, monohydrochloride
  • 1,4-Benzenediamine, N-(4-methoxyphenyl)-, monohydrochloride
  • Variamine Blue B hydrochloride
  • 4-Amino-4′-methoxydiphenylamine monohydrochloride
  • N-(4-Methoxyphenyl)-p-phenylenediamine monohydrochloride
  • 1-N-(4-Methoxyphenyl)benzene-1,4-diamine hydrochloride
  • N-(p-Methoxyphenyl)-p-phenylenediamine hydrochloride

Work with Variamine blue

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

4-Anisidine hydrochloride20265-97-878 % similar 4,4′-Dimethoxydiphenylamine101-70-267 % similar P-Anisidine104-94-967 % similar (4-Methoxyphenyl)hydrazine hydrochloride19501-58-761 % similar N-(4-Methoxyphenyl)aniline1208-86-258 % similar 4-Methoxy-4'-methyldiphenylamine39253-43-556 % similar N-Methyl-p-phenylenediamine dihydrochloride5395-70-050 % similar 4-[4-(4-Methoxyphenyl)-1-piperazinyl]benzenamine74852-62-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(p-Benzyloxyphenyl)hydrazine hydrochloride52068-30-1 4-(4-Chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanol67085-11-4

Elsewhere

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