1,3-Benzenediamine, 4,4′-[1,3-phenylenebis(2,1-diazenediyl)]bis-, hydrochloride (1:2)

C₁₈H₂₀Cl₂N₈CAS 10114-58-6419.31 g/mol

Open in Covalent MOL file

Azo Primary amine

Properties

Molecular formula: C₁₈H₂₀Cl₂N₈
Molar mass: 419.31 g/mol
Exact mass: 418.1188 Da
logP: 5.69Crippen estimate
Polar surface area: 153.5 Å²
H-bond donors / acceptors: 4 / 8
Rotatable bonds: 4

Hazards

Danger

H315 Causes skin irritation60% of notifiers
H318 Causes serious eye damage58.5% of notifiers
H319 Causes serious eye irritation12.3% of notifiers
H411 Toxic to aquatic life with long lasting effects61.5% of notifiers

Aggregated from 65 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

10114-58-6

SMILES

Cl.Cl.Nc1ccc(N=Nc2cccc(N=Nc3ccc(N)cc3N)c2)c(N)c1

InChIKey

MCZVRBLCRZWFJH-UHFFFAOYSA-N

InChI

InChI=1S/C18H18N8.2ClH/c19-11-4-6-17(15(21)8-11)25-23-13-2-1-3-14(10-13)24-26-18-7-5-12(20)9-16(18)22;;/h1-10H,19-22H2;2*1H

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

Names and synonyms

2 names

C.I. Basic Brown 1, dihydrochloride
1,3-Benzenediamine, 4,4′-[1,3-phenylenebis(azo)]bis-, dihydrochloride

Work with 1,3-Benzenediamine, 4,4′-[1,3-phenylenebis(2,1-diazenediyl)]bis-, hydrochloride (1:2)

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

Chrysoidine532-82-182 % similar Ethoxazene hydrochloride2313-87-357 % similar 3-Methyl-4-[2-(3-methylphenyl)diazenyl]benzenamine3398-09-250 % similar 4-Phenylazobenzamine monohydrochloride3457-98-549 % similar 1,2,4-Triaminobenzene dihydrochloride615-47-448 % similar M-Phenylenediamine hydrochloride541-69-544 % similar Dianol137-09-743 % similar 2,4-Diaminoanisole dihydrochloride614-94-841 % similar

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

Elsewhere

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