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Oxapropanium Iodide , CAS No.541-66-2

COA

Cas Number: 541-66-2
Molecular Weight: 273.11
PubChem CID: 10939

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Item Number

O356681

Grouped product items
SKU	Size	Availability	Price	Qty
O356681-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$697.90

Basic Description

Synonyms	(1,3-Dioxolan-4-yl)-N,N,N-trimethylmethanaminium iodide \| (1,3-Dioxolan-4-ylmethyl)trimethylammonium iodide \| Oxapropanii iodidum \| Vasodilatateur 2249F \| Oxapropanii iodidum [INN-Latin] \| 1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-, iodide, (-)- \| Ox
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Dioxolanes
    - Subclass 1,3-dioxolanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dioxolanes
Subclass	1,3-dioxolanes
Intermediate Tree Nodes	Not available
Direct Parent	1,3-dioxolanes
Alternative Parents	Tetraalkylammonium salts Oxacyclic compounds Acetals Organopnictogen compounds Organic iodide salts Hydrocarbon derivatives Amines
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Tetraalkylammonium salt - Quaternary ammonium salt - Meta-dioxolane - Oxacycle - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,3-dioxolanes. These are organic compounds containing 1,3-dioxolane, an aliphatic five-member ring with two oxygen atoms in ring positions 1 and 3.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1,3-dioxolan-4-ylmethyl(trimethyl)azanium;iodide
INCHI	InChI=1S/C7H16NO2.HI/c1-8(2,3)4-7-5-9-6-10-7;/h7H,4-6H2,1-3H3;1H/q+1;/p-1
InChIKey	HQWAEQCLIWVOMF-UHFFFAOYSA-M
Smiles	C[N+](C)(C)CC1COCO1.[I-]
Isomeric SMILES	C[N+](C)(C)CC1COCO1.[I-]
PubChem CID	10939
Molecular Weight	273.11

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	273.110 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	273.023 Da
Monoisotopic Mass	273.023 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	109.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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