1-methyl-1-[8-(1-methyl-1-azoniacyclooct-1-yl)octyl]-1-azoniacyclooctane; 2,4,6-trinitrophenol

Modify Date: 2025-10-01 18:45:02

1-methyl-1-[8-(1-methyl-1-azoniacyclooct-1-yl)octyl]-1-azoniacyclooctane; 2,4,6-trinitrophenol structure	Common Name	1-methyl-1-[8-(1-methyl-1-azoniacyclooct-1-yl)octyl]-1-azoniacyclooctane; 2,4,6-trinitrophenol
	CAS Number	7466-12-8	Molecular Weight	594.76300
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₃₀H₅₂N₅O₇+	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	1-methyl-1-[8-(1-methylazocan-1-ium-1-yl)octyl]azocan-1-ium,2,4,6-trinitrophenolate

Molecular Formula	C₃₀H₅₂N₅O₇+
Molecular Weight	594.76300
Exact Mass	594.38700
PSA	160.52000
LogP	9.19060
InChIKey	XUFXICJTPLUKBC-UHFFFAOYSA-M
SMILES	C[N+]1(CCCCCCCC[N+]2(C)CCCCCCC2)CCCCCCC1.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1

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