SCHEMBL11762403

methanesulfonate;trimethyl-[4-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methyl]phenyl]azanium

CAS: 52793-97-2

Molecular Formula	`C21H31NO4S`
Molecular Weight	393.5 g/mol
Topological Polar Surface Area	82.7 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	393.1974
Heavy Atoms	27
Complexity	582.0

Chemical Identifiers

CAS Number	52793-97-2
SMILES	`CC1(C2CCC1(C(=O)C2=CC3=CC=C(C=C3)[N+](C)(C)C)C)C.CS(=O)(=O)[O-]`
InChIKey	`BPDGKTMMBDRVHQ-UHFFFAOYSA-M`

📖 Product Overview

SCHEMBL11762403 (CAS: 52793-97-2) is a chemical compound with molecular formula C21H31NO4S and molecular weight 393.5 g/mol. Its IUPAC systematic name is methanesulfonate;trimethyl-[4-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methyl]phenyl]azanium. Topological Polar Surface Area 82.7 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 393.1974 Heavy Atoms 27 Complexity 582.0 InChI Key: BPDGKTMMBDRVHQ-UHFFFAOYSA-M. SMILES: CC1(C2CCC1(C(=O)C2=CC3=CC=C(C=C3)[N+](C)(C)C)C)C.CS(=O)(=O)[O-].

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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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