ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate

CAS: 7313-47-5

Molecular Formula	`C22H26N8O2`
Molecular Weight	434.5 g/mol
LogP	3.9
Topological Polar Surface Area	153.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	11
Exact Mass	434.21786
Heavy Atoms	32
Complexity	578.0

Chemical Identifiers

CAS Number	7313-47-5
SMILES	`CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2NCCCNC3=CC=CC=C3)N)N`
InChIKey	`OMXYZQOYLZPDMU-UHFFFAOYSA-N`

📖 Product Overview

ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate (CAS: 7313-47-5) is a chemical compound with molecular formula C22H26N8O2 and molecular weight 434.5 g/mol. Its IUPAC systematic name is ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate. LogP 3.9 Topological Polar Surface Area 153.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 10 Rotatable Bonds 11 Exact Mass 434.21786 Heavy Atoms 32 Complexity 578.0 InChI Key: OMXYZQOYLZPDMU-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2NCCCNC3=CC=CC=C3)N)N.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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