1-methyl-1-[[2-[(1-methyl-1-azoniacyclohept-1-yl)methyl]phenyl]methyl]-1-azoniacycloheptane; 2,4,6-trinitrophenol

Modify Date: 2025-09-17 08:04:59

1-methyl-1-[[2-[(1-methyl-1-azoniacyclohept-1-yl)methyl]phenyl]methyl]-1-azoniacycloheptane; 2,4,6-trinitrophenol structure	Common Name	1-methyl-1-[[2-[(1-methyl-1-azoniacyclohept-1-yl)methyl]phenyl]methyl]-1-azoniacycloheptane; 2,4,6-trinitrophenol
	CAS Number	7466-11-7	Molecular Weight	558.64600
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₈H₄₀N₅O₇+	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	1-methyl-1-[[2-[(1-methylazepan-1-ium-1-yl)methyl]phenyl]methyl]azepan-1-ium,2,4,6-trinitrophenolate

Molecular Formula	C₂₈H₄₀N₅O₇+
Molecular Weight	558.64600
Exact Mass	558.29300
PSA	160.52000
LogP	7.77000
InChIKey	AMZYWLQLBJOUJG-UHFFFAOYSA-M
SMILES	C[N+]1(Cc2ccccc2C[N+]2(C)CCCCCC2)CCCCCC1.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1

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