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Chemical structure of 1,3-Bis-(2,4-diaminophenoxy)propane tetrahydrochloride
Alkaloids

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

1,3-二(2,4-二氨基苯氧基)丙烷盐酸盐

PHY-NP-07616 · Natural product research catalog

Catalog numberPHY-NP-07616
CAS number74918-21-1
Molecular formulaC15H24Cl4N4O2
Molecular weight434.195 g/mol
Chemical classAlkaloids
Purity / assayConfirmed in quotation and batch COA

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Product information

1,3-Bis-(2,4-diaminophenoxy)propane tetrahydrochloride is listed in the Alkaloids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine;tetrahydrochloride
SMILESC1=CC(=C(C=C1N)N)OCCCOC2=C(C=C(C=C2)N)N.Cl.Cl.Cl.Cl
InChIKeyUXPUOLAAWYPPLE-UHFFFAOYSA-N
PubChem CID21895880

Computed properties & structure classification

Exact mass (Da)432.0653Predicted LogP1.8633
Predicted TPSA (Ų)122.54H-bond donors4
H-bond acceptors6Rotatable bonds6
Ring count2Aromatic rings2
Fraction Csp³0.2Synthetic accessibility score2.18
QED score0.475Lipinski rule violations0
NPClassifier pathwayAlkaloidsParent SMILESNc1ccc(OCCCOc2ccc(N)cc2N)c(N)c1
Parent formulaC15H20N4O2Parent molecular weight288.351
Specified stereocenters0Unspecified stereocenters0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

LOTUS species records0
LOTUS reference records0
COCONUT organism records0

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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