ethanol6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine

ethanol;6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine

CAS: 2870-28-2

Molecular Formula	`C21H26N3O+`
Molecular Weight	336.4 g/mol
Topological Polar Surface Area	47.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	1
Exact Mass	336.20758
Heavy Atoms	25
Complexity	456.0

Chemical Identifiers

CAS Number	2870-28-2
SMILES	`CCO.C1CCC=[N+](CC1)C2=NC3=CC=CC=C3C4=CC=CC=C4N2`
InChIKey	`IDCQHGIACKVLCK-UHFFFAOYSA-N`

📖 Product Overview

ethanol6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine (CAS: 2870-28-2) is a chemical compound with molecular formula C21H26N3O+ and molecular weight 336.4 g/mol. Its IUPAC systematic name is ethanol;6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine. Topological Polar Surface Area 47.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 2 Rotatable Bonds 1 Exact Mass 336.20758 Heavy Atoms 25 Complexity 456.0 InChI Key: IDCQHGIACKVLCK-UHFFFAOYSA-N. SMILES: CCO.C1CCC=[N+](CC1)C2=NC3=CC=CC=C3C4=CC=CC=C4N2.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for ethanol6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine.

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