-
Name
3-ethoxy-N,N-diethyl-N-methyl-3-oxopropan-1-aminium iodide
- EINECS
- CAS No. 22041-34-5
- Density g/cm3
- Solubility
- Melting Point
- Formula C10H22 N O2 . I
- Boiling Point °Cat760mmHg
- Molecular Weight 315.195
- Flash Point °C
- Transport Information
- Appearance
- Safety A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and I.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms (2-Carboxyethyl)diethylmethylammoniumiodide, ethyl ester (6CI); Ammonium, (2-carboxyethyl)diethylmethyl-, iodide,ethyl ester (8CI)
- PSA
- LogP
Ammonium, (2-carboxyethyl)diethylmethyl-, iodide, ethyl ester Chemical Properties
Molecular Structure of Ammonium, (2-carboxyethyl)diethylmethyl-, iodide, ethyl ester (CAS NO. 22041-34-5):
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IUPAC Name: (3-Ethoxy-3-oxopropyl)-diethyl-methylazanium iodide
Molecular Formula: C10H22INO2
Molecular Weight: 315.191650 g/mol
H-Bond Donor: 0
H-Bond Acceptor: 3
Canonical SMILES: CC[N+](C)(CC)CCC(=O)OCC.[I-]
InChI: InChI=1S/C10H22NO2.HI/c1-5-11(4,6-2)9-8-10(12)13-7-3;/h5-9H2,1-4H3;1H/q+1;/p-1
InChIKey: AFPPJILHCMONGR-UHFFFAOYSA-M
Freely Rotating Bonds: 7
Polar Surface Area of Ammonium, (2-carboxyethyl)diethylmethyl-, iodide, ethyl ester (CAS NO. 22041-34-5): 26.3 Å2
Ammonium, (2-carboxyethyl)diethylmethyl-, iodide, ethyl ester Toxicity Data With Reference
| 1. | ivn-mus LD50:20 mg/kg | BJPCBM British Journal of Pharmacology. 34 (1968),345. |
Ammonium, (2-carboxyethyl)diethylmethyl-, iodide, ethyl ester Safety Profile
A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and I.
Ammonium, (2-carboxyethyl)diethylmethyl-, iodide, ethyl ester Specification
Ammonium, (2-carboxyethyl)diethylmethyl-, iodide, ethyl ester with cas registry number of 22041-34-5 is also known as (2-Carboxyethyl)diethylmethylammonium iodide ethyl ester .
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