chempirical

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

C12H20Cl4N4OCAS 868272-85-9378.12 g/mol

Open in Covalent MOL file
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

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

Similar compounds

3,3′-Diaminobenzidine tetrahydrochloride7411-49-686 % similar 3,3'-Diaminobenzidine91-95-271 % similar 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-Methoxy-1,2-diaminobenzene dihydrochloride59548-39-947 % similar

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

Elsewhere

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