1-tert-Butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)guanidine dinitrate

tert-butyl-[[(2-ethoxyquinolin-4-yl)amino]-(1,3-thiazol-2-ylazaniumyl)methylidene]azanium dinitrate

CAS: 71079-87-3

Molecular Formula	`C19H25N7O7S`
Molecular Weight	495.5 g/mol
Topological Polar Surface Area	232.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	7
Exact Mass	495.15363
Heavy Atoms	34
Complexity	500.0

Chemical Identifiers

CAS Number	71079-87-3
SMILES	`CCOC1=NC2=CC=CC=C2C(=C1)NC(=[NH+]C(C)(C)C)[NH2+]C3=NC=CS3.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]`
InChIKey	`KDTRKDCBBZZICU-UHFFFAOYSA-P`

📖 Product Overview

1-tert-Butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)guanidine dinitrate (CAS: 71079-87-3) is a chemical compound with molecular formula C19H25N7O7S and molecular weight 495.5 g/mol. Its IUPAC systematic name is tert-butyl-[[(2-ethoxyquinolin-4-yl)amino]-(1,3-thiazol-2-ylazaniumyl)methylidene]azanium dinitrate. Topological Polar Surface Area 232.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 10 Rotatable Bonds 7 Exact Mass 495.15363 Heavy Atoms 34 Complexity 500.0 InChI Key: KDTRKDCBBZZICU-UHFFFAOYSA-P. SMILES: CCOC1=NC2=CC=CC=C2C(=C1)NC(=[NH+]C(C)(C)C)[NH2+]C3=NC=CS3.[N+](=O)([O-])[O-].[N+](=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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