N-[2-(diethylamino)ethyl]-2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)acetamideoxalic acid

N-[2-(diethylamino)ethyl]-2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)acetamide;oxalic acid

CAS: 50836-11-8

Molecular Formula	`C18H25N3O9`
Molecular Weight	427.4 g/mol
Topological Polar Surface Area	171.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	8
Exact Mass	427.1591
Heavy Atoms	30
Complexity	523.0

Chemical Identifiers

CAS Number	50836-11-8
SMILES	`CCN(CC)CCNC(=O)CC1(OC2=C(O1)C=C(C=C2)[N+](=O)[O-])C.C(=O)(C(=O)O)O`
InChIKey	`SPDJIYHFWWLZLB-UHFFFAOYSA-N`

📖 Product Overview

N-[2-(diethylamino)ethyl]-2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)acetamideoxalic acid (CAS: 50836-11-8) is a chemical compound with molecular formula C18H25N3O9 and molecular weight 427.4 g/mol. Its IUPAC systematic name is N-[2-(diethylamino)ethyl]-2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)acetamide;oxalic acid. Topological Polar Surface Area 171.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 10 Rotatable Bonds 8 Exact Mass 427.1591 Heavy Atoms 30 Complexity 523.0 InChI Key: SPDJIYHFWWLZLB-UHFFFAOYSA-N. SMILES: CCN(CC)CCNC(=O)CC1(OC2=C(O1)C=C(C=C2)[N+](=O)[O-])C.C(=O)(C(=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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