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

CAS: 57462-86-9

Molecular Formula	`C14H20ClN3O4`
Molecular Weight	329.78 g/mol
Topological Polar Surface Area	79.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	329.11423
Heavy Atoms	22
Complexity	410.0

Chemical Identifiers

CAS Number	57462-86-9
SMILES	`CC1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(C)[NH+](C)C.[Cl-]`
InChIKey	`IOKHTIHZBIJKOX-UHFFFAOYSA-N`

📖 Product Overview

dimethyl-[1-(2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl]azanium chloride (CAS: 57462-86-9) is a chemical compound with molecular formula C14H20ClN3O4 and molecular weight 329.78 g/mol. Its IUPAC systematic name is dimethyl-[1-(2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl]azanium chloride. Topological Polar Surface Area 79.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 329.11423 Heavy Atoms 22 Complexity 410.0 InChI Key: IOKHTIHZBIJKOX-UHFFFAOYSA-N. SMILES: CC1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(C)[NH+](C)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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