chempirical

1,3-Bis(2,4-diaminophenoxy)propane tetrahydrochloride

C15H24Cl4N4O2CAS 74918-21-1434.18 g/mol

Open in Covalent MOL file
HClHClHClHClH2NOONH2H2NNH2
EtherPrimary amine

Properties

Molecular formula
C15H24Cl4N4O2
Molar mass
434.18 g/mol
Exact mass
432.0653 Da
logP
3.55Crippen estimate
Polar surface area
122.5 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
6

Identifiers

CAS number
74918-21-1
SMILES
Cl.Cl.Cl.Cl.Nc1ccc(OCCCOc2ccc(N)cc2N)c(N)c1
InChIKey
UXPUOLAAWYPPLE-UHFFFAOYSA-N
InChI
InChI=1S/C15H20N4O2.4ClH/c16-10-2-4-14(12(18)8-10)20-6-1-7-21-15-5-3-11(17)9-13(15)19;;;;/h2-5,8-9H,1,6-7,16-19H2;4*1H

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Names and synonyms

2 names
  • 1,3-Benzenediamine, 4,4′-[1,3-propanediylbis(oxy)]bis-, hydrochloride (1:4)
  • 1,3-Benzenediamine, 4,4′-[1,3-propanediylbis(oxy)]bis-, tetrahydrochloride

Work with 1,3-Bis(2,4-diaminophenoxy)propane tetrahydrochloride

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

1,3-Bis(2,4-diaminophenoxy)propane81892-72-089 % similar 2,4-Diaminophenoxyethanol dihydrochloride66422-95-574 % similar 2,4-Diaminoanisole dihydrochloride614-94-861 % similar 4-Aminobenzo-15-crown-5 hydrochloride111076-66-557 % similar 1,4-Benzodioxan-6-amine22013-33-853 % similar 1,3-Diamino-4-(2-hydroxyethoxy)benzene sulfate70643-20-852 % similar 1,2,4-Triaminobenzene dihydrochloride615-47-452 % similar 2,4-Diaminoanisole615-05-452 % similar

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

Elsewhere

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