dimethyl-[2-[2-oxo-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-4-ium-1-yl]ethyl]azanium dichloride

CAS: 1959-19-9

Molecular Formula	`C20H22Cl2F3N3O`
Molecular Weight	448.3 g/mol
Topological Polar Surface Area	38.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	447.1092
Heavy Atoms	29
Complexity	555.0

Chemical Identifiers

CAS Number	1959-19-9
SMILES	`C[NH+](C)CCN1C(=O)C[NH+]=C(C2=C1C=CC(=C2)C(F)(F)F)C3=CC=CC=C3.[Cl-].[Cl-]`
InChIKey	`PSUPORXCGKAVFW-UHFFFAOYSA-N`

📖 Product Overview

dimethyl-[2-[2-oxo-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-4-ium-1-yl]ethyl]azanium dichloride (CAS: 1959-19-9) is a chemical compound with molecular formula C20H22Cl2F3N3O and molecular weight 448.3 g/mol. Its IUPAC systematic name is dimethyl-[2-[2-oxo-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-4-ium-1-yl]ethyl]azanium dichloride. Topological Polar Surface Area 38.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 4 Exact Mass 447.1092 Heavy Atoms 29 Complexity 555.0 InChI Key: PSUPORXCGKAVFW-UHFFFAOYSA-N. SMILES: C[NH+](C)CCN1C(=O)C[NH+]=C(C2=C1C=CC(=C2)C(F)(F)F)C3=CC=CC=C3.[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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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for dimethyl-[2-[2-oxo-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-4-ium-1-yl]ethyl]azanium dichloride.

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