1,2,4-Triaminobenzene dihydrochloride

C6H11Cl2N3CAS 615-47-4196.07 g/mol

Open in Covalent MOL file
HClHClH2NNH2NH2
Primary amine

Properties

Molecular formula
C6H11Cl2N3
Molar mass
196.07 g/mol
Exact mass
195.0330 Da
logP
1.28Crippen estimate
Polar surface area
78.1 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
615-47-4
SMILES
Cl.Cl.Nc1ccc(N)c(N)c1
InChIKey
RKMFFOLUBJFMBQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N3.2ClH/c7-4-1-2-5(8)6(9)3-4;;/h1-3H,7-9H2;2*1H

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Names and synonyms

2 names
  • 1,2,4-Benzenetriamine, hydrochloride (1:2)
  • 1,2,4-Benzenetriamine, dihydrochloride

Work with 1,2,4-Triaminobenzene dihydrochloride

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

Dianol137-09-762 % similar 2-Methylbenzene-1,4-diamine dihydrochloride615-45-262 % similar 2-Chloro-1,4-benzenediamine hydrochloride62106-51-862 % similar 3,3′-Diaminobenzidine tetrahydrochloride7411-49-661 % similar 2,4-Diaminoanisole dihydrochloride614-94-857 % similar 1,2,4,5-Tetraaminobenzene tetrahydrochloride4506-66-555 % similar 1,4-Diaminobenzene dihydrochloride624-18-055 % similar 3,3'-Diaminobenzidine tetrahydrochloride dihydrate167684-17-554 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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