ISOXAZOLE, 5-(2-(DIETHYLAMINO)ACETAMIDO)-3,4-DIMETHYL-, PICRATE

[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-diethylazanium;2,4,6-trinitrocyclohexan-1-olate

CAS: 93438-34-7

Molecular Formula	`C17H28N6O9`
Molecular Weight	460.4 g/mol
Topological Polar Surface Area	220.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	5
Exact Mass	460.19177
Heavy Atoms	32
Complexity	523.0

Chemical Identifiers

CAS Number	93438-34-7
SMILES	`CC[NH+](CC)CC(=O)NC1=C(C(=NO1)C)C.C1C(CC(C(C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]`
InChIKey	`WNCZTMYJKJMUNN-UHFFFAOYSA-O`

📖 Product Overview

ISOXAZOLE, 5-(2-(DIETHYLAMINO)ACETAMIDO)-3,4-DIMETHYL-, PICRATE (CAS: 93438-34-7) is a chemical compound with molecular formula C17H28N6O9 and molecular weight 460.4 g/mol. Its IUPAC systematic name is [2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-diethylazanium;2,4,6-trinitrocyclohexan-1-olate. Topological Polar Surface Area 220.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 10 Rotatable Bonds 5 Exact Mass 460.19177 Heavy Atoms 32 Complexity 523.0 InChI Key: WNCZTMYJKJMUNN-UHFFFAOYSA-O. SMILES: CC[NH+](CC)CC(=O)NC1=C(C(=NO1)C)C.C1C(CC(C(C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].

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