H.C. 9009

benzyl-[3-[[[3-[benzyl(dimethyl)azaniumyl]propylamino]-(4-methylphenoxy)phosphoryl]amino]propyl]-dimethylazanium dibromide

CAS: 21217-25-4

Molecular Formula	`C31H47Br2N4O2P`
Molecular Weight	698.5 g/mol
Topological Polar Surface Area	50.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	16
Exact Mass	698.1783
Heavy Atoms	40
Complexity	652.0

Chemical Identifiers

CAS Number	21217-25-4
SMILES	`CC1=CC=C(C=C1)OP(=O)(NCCC[N+](C)(C)CC2=CC=CC=C2)NCCC[N+](C)(C)CC3=CC=CC=C3.[Br-].[Br-]`
InChIKey	`SJRCRJHWTFRAMR-UHFFFAOYSA-L`

📖 Product Overview

H.C. 9009 (CAS: 21217-25-4) is a chemical compound with molecular formula C31H47Br2N4O2P and molecular weight 698.5 g/mol. Its IUPAC systematic name is benzyl-[3-[[[3-[benzyl(dimethyl)azaniumyl]propylamino]-(4-methylphenoxy)phosphoryl]amino]propyl]-dimethylazanium dibromide. Topological Polar Surface Area 50.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 16 Exact Mass 698.1783 Heavy Atoms 40 Complexity 652.0 InChI Key: SJRCRJHWTFRAMR-UHFFFAOYSA-L. SMILES: CC1=CC=C(C=C1)OP(=O)(NCCC[N+](C)(C)CC2=CC=CC=C2)NCCC[N+](C)(C)CC3=CC=CC=C3.[Br-].[Br-].

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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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