Undecoylium chloride-iodine

2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl propanoate chloride

CAS: 1338-54-1

Molecular Formula	`C12H17ClN2O3`
Molecular Weight	272.73 g/mol
Topological Polar Surface Area	59.3 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	272.09277
Heavy Atoms	18
Complexity	250.0

Chemical Identifiers

CAS Number	1338-54-1
SMILES	`CCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1.[Cl-]`
InChIKey	`OSCJJMKLQGAGML-UHFFFAOYSA-N`

📖 Product Overview

Undecoylium chloride-iodine (CAS: 1338-54-1) is a chemical compound with molecular formula C12H17ClN2O3 and molecular weight 272.73 g/mol. Its IUPAC systematic name is 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl propanoate chloride. Topological Polar Surface Area 59.3 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 272.09277 Heavy Atoms 18 Complexity 250.0 InChI Key: OSCJJMKLQGAGML-UHFFFAOYSA-N. SMILES: CCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1.[Cl-].

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