Ro 2-1947/1

[5-(dimethylamino)-2-[(1-methylpyridin-1-ium-3-yl)diazenyl]phenyl] N,N-dimethylcarbamate iodide

CAS: 69766-32-1

Molecular Formula	`C17H22IN5O2`
Molecular Weight	455.3 g/mol
Topological Polar Surface Area	61.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	455.08182
Heavy Atoms	25
Complexity	441.0

Chemical Identifiers

CAS Number	69766-32-1
SMILES	`C[N+]1=CC=CC(=C1)N=NC2=C(C=C(C=C2)N(C)C)OC(=O)N(C)C.[I-]`
InChIKey	`BDMVTMSTLZICOM-UHFFFAOYSA-M`

📖 Product Overview

Ro 2-1947/1 (CAS: 69766-32-1) is a chemical compound with molecular formula C17H22IN5O2 and molecular weight 455.3 g/mol. Its IUPAC systematic name is [5-(dimethylamino)-2-[(1-methylpyridin-1-ium-3-yl)diazenyl]phenyl] N,N-dimethylcarbamate iodide. Topological Polar Surface Area 61.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 455.08182 Heavy Atoms 25 Complexity 441.0 InChI Key: BDMVTMSTLZICOM-UHFFFAOYSA-M. SMILES: C[N+]1=CC=CC(=C1)N=NC2=C(C=C(C=C2)N(C)C)OC(=O)N(C)C.[I-].

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