diethyl-[2-(2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)ethyl]azanium chloride

CAS: 57462-67-6

Molecular Formula	`C15H22ClN3O4`
Molecular Weight	343.8 g/mol
Topological Polar Surface Area	79.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	343.12988
Heavy Atoms	23
Complexity	408.0

Chemical Identifiers

CAS Number	57462-67-6
SMILES	`CC[NH+](CC)CCN1C2=C(C=CC(=C2)[N+](=O)[O-])OC(C1=O)C.[Cl-]`
InChIKey	`XYLUMUDIJHWKSB-UHFFFAOYSA-N`

📖 Product Overview

diethyl-[2-(2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)ethyl]azanium chloride (CAS: 57462-67-6) is a chemical compound with molecular formula C15H22ClN3O4 and molecular weight 343.8 g/mol. Its IUPAC systematic name is diethyl-[2-(2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)ethyl]azanium chloride. Topological Polar Surface Area 79.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 343.12988 Heavy Atoms 23 Complexity 408.0 InChI Key: XYLUMUDIJHWKSB-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCN1C2=C(C=CC(=C2)[N+](=O)[O-])OC(C1=O)C.[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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