(4-amino-2-chlorobenzoyl)-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]azanium trichloride

CAS: 30194-71-9

Molecular Formula	`C21H28Cl4N4O3`
Molecular Weight	526.3 g/mol
Topological Polar Surface Area	87.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	526.0886
Heavy Atoms	32
Complexity	546.0

Chemical Identifiers

CAS Number	30194-71-9
SMILES	`C1C[NH+](CC[NH+]1CC[NH2+]C(=O)C2=C(C=C(C=C2)N)Cl)CC3=CC4=C(C=C3)OCO4.[Cl-].[Cl-].[Cl-]`
InChIKey	`ZKJJCBNOLRYVGC-UHFFFAOYSA-N`

📖 Product Overview

(4-amino-2-chlorobenzoyl)-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]azanium trichloride (CAS: 30194-71-9) is a chemical compound with molecular formula C21H28Cl4N4O3 and molecular weight 526.3 g/mol. Its IUPAC systematic name is (4-amino-2-chlorobenzoyl)-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]azanium trichloride. Topological Polar Surface Area 87.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 7 Rotatable Bonds 6 Exact Mass 526.0886 Heavy Atoms 32 Complexity 546.0 InChI Key: ZKJJCBNOLRYVGC-UHFFFAOYSA-N. SMILES: C1C[NH+](CC[NH+]1CC[NH2+]C(=O)C2=C(C=C(C=C2)N)Cl)CC3=CC4=C(C=C3)OCO4.[Cl-].[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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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (4-amino-2-chlorobenzoyl)-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]azanium trichloride.

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