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

C15H20N4O2CAS 81892-72-0288.35 g/mol

Open in Covalent MOL file
H2NOONH2H2NNH2
EtherPrimary amine

Properties

Molecular formula
C15H20N4O2
Molar mass
288.35 g/mol
Exact mass
288.1586 Da
logP
1.86Crippen estimate
Polar surface area
122.5 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
6

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
81892-72-0
SMILES
Nc1ccc(OCCCOc2ccc(N)cc2N)c(N)c1
InChIKey
MWKPYVXITDAZLL-UHFFFAOYSA-N
InChI
InChI=1S/C15H20N4O2/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

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

Names and synonyms

5 names
  • 1,3-Bis(2,4-diaminophenoxy)propane
  • 1,3-Benzenediamine, 4,4′-[1,3-propanediylbis(oxy)]bis-
  • m-Phenylenediamine, 4,4′-(trimethylenedioxy)bis-
  • 4,4′-[1,3-Propanediylbis(oxy)]bis[1,3-benzenediamine]
  • 1,3-Di(2,4-diaminophenoxy)propane

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

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.

1,3-Bis(2,4-diaminophenoxy)propane tetrahydrochloride74918-21-1Salt

Similar compounds

2,4-Diaminophenoxyethanol70643-19-571 % similar 2,4-Diaminophenoxyethanol dihydrochloride66422-95-565 % similar 1,4-Benzodioxan-6-amine22013-33-859 % similar 2,4-Diaminoanisole615-05-457 % similar 1,3-Diamino-4-(2-hydroxyethoxy)benzene sulfate70643-20-856 % similar 2,4-Diamino phenetole sulfate68015-98-554 % similar 2,3-Dihydro-1-benzofuran-5-amine42933-43-753 % similar 4'-Aminobenzo-15-crown-5-ether60835-71-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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