diethyl-[2-[[(2S,3S)-3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl]methylazaniumyl]ethyl]azanium dichloride

CAS: 80428-17-7

Molecular Formula	`C21H30Cl2N2O2`
Molecular Weight	413.4 g/mol
Topological Polar Surface Area	39.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	412.16843
Heavy Atoms	27
Complexity	369.0

Chemical Identifiers

CAS Number	80428-17-7
SMILES	`CC[NH+](CC)CC[NH2+]CC1C(OC2=CC=CC=C2O1)C3=CC=CC=C3.[Cl-].[Cl-]`
InChIKey	`VIWYKJRLBGGRPG-HRIAXCGHSA-N`

📖 Product Overview

diethyl-[2-[[(2S,3S)-3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl]methylazaniumyl]ethyl]azanium dichloride (CAS: 80428-17-7) is a chemical compound with molecular formula C21H30Cl2N2O2 and molecular weight 413.4 g/mol. Its IUPAC systematic name is diethyl-[2-[[(2S,3S)-3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl]methylazaniumyl]ethyl]azanium dichloride. Topological Polar Surface Area 39.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 412.16843 Heavy Atoms 27 Complexity 369.0 InChI Key: VIWYKJRLBGGRPG-HRIAXCGHSA-N. SMILES: CC[NH+](CC)CC[NH2+]CC1C(OC2=CC=CC=C2O1)C3=CC=CC=C3.[Cl-].[Cl-].

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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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Frequently Asked Questions

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for diethyl-[2-[[(2S,3S)-3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl]methylazaniumyl]ethyl]azanium dichloride.

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