[1,1′-Biphenyl]-3,3′,4,4′-tetramine hydrochloride hydrate (1:4:?)

C12H20Cl4N4OCAS 868272-85-9378.12 g/mol

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HClHClHClHClH2NNH2NH2H2NH2O
Primary amine

Properties

Molecular formula
C12H20Cl4N4O
Molar mass
378.12 g/mol
Exact mass
376.0391 Da
logP
2.54Crippen estimate
Polar surface area
135.6 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
1

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
868272-85-9
SMILES
Cl.Cl.Cl.Cl.Nc1ccc(-c2ccc(N)c(N)c2)cc1N.O
InChIKey
DXWSCXIZIHILNP-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N4.4ClH.H2O/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8;;;;;/h1-6H,13-16H2;4*1H;1H2

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Names and synonyms

2 names
  • [1,1′-Biphenyl]-3,3′,4,4′-tetramine, hydrochloride, hydrate (1:4:?)
  • [1,1′-Biphenyl]-3,3′,4,4′-tetramine, tetrahydrochloride, hydrate

Work with [1,1′-Biphenyl]-3,3′,4,4′-tetramine hydrochloride hydrate (1:4:?)

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.

3,3'-Diaminobenzidine tetrahydrochloride dihydrate167684-17-5Hydrate 3,3′-Diaminobenzidine tetrahydrochloride7411-49-6Anhydrous 3,3′-Diaminobenzidine91-95-2Free base

Similar compounds

1,2,4-Triaminobenzene dihydrochloride615-47-454 % similar 3,3′-Dimethylbenzidine dihydrochloride612-82-854 % similar 3,3′-Dichlorobenzidine dihydrochloride612-83-954 % similar 3,3′-Dimethoxybenzidine dihydrochloride20325-40-050 % similar 1,2,4,5-Tetraaminobenzene tetrahydrochloride4506-66-550 % similar 4-Methoxybenzene-1,2-diamine dihydrochloride59548-39-947 % similar Tolidine119-93-743 % similar 3,3′-Dihydroxy-4,4′-diaminobiphenyl2373-98-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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