3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl-diethyl-methylazanium,diiodide

Modify Date: 2025-08-26 13:14:52

3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl-diethyl-methylazanium,diiodide Structure
3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl-diethyl-methylazanium,diiodide structure
Common Name 3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl-diethyl-methylazanium,diiodide
CAS Number 102585-70-6 Molecular Weight 537.30500
Density N/A Boiling Point N/A
Molecular Formula C17H37I2N3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl-diethyl-methylazanium,diiodide
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C17H37I2N3
Molecular Weight 537.30500
Exact Mass 537.10800
PSA 3.24000
InChIKey MSINDPAPBSJZQC-UHFFFAOYSA-L
SMILES CC[N+](C)(CC)CCCN1CC2CCCC(C1)[N+]2(C)C.[I-].[I-]

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CL5322000
CHEMICAL NAME :
3-Aza-9-azoniabicyclo(3.3.1)nonane, 3-(3-(diethylmethylammonio)propyl)-9,9-dimethyl-, diiodide
CAS REGISTRY NUMBER :
102585-70-6
LAST UPDATED :
198609
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H37-N3-.2I
MOLECULAR WEIGHT :
537.37
WISWESSER LINE NOTATION :
T66 A AK DNTJ A1 A1 D3K2&2&1 &I 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2400 ug/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - other changes
REFERENCE :
JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 3,441,1961

 Synonyms

3-{3-[diethyl(methyl)ammonio]propyl}-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide
3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl-diethyl-methylazanium diiodide
3-Aza-9-azoniabicyclo(3.3.1)nonane,3-(3-(diethylmethylammonio)propyl)-9,9-dimethyl-,diiodide
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