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| Name |
N,N-Diethyl-1-methyl-3,3-di-2-thienyl-allylamine hydrochloride |
EINECS | N/A |
| CAS No. | 132-19-4 | Density | N/A |
| PSA | 59.72000 | LogP | 5.77360 |
| Solubility | N/A | Melting Point |
152-153 °C |
| Formula | C16H21NS2•ClH | Boiling Point | 399.5°C at 760 mmHg |
| Molecular Weight | 327.96 | Flash Point | 195.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion, subcutaneous, and intravenous routes. An analgesic and narcotic used in veterinary medicine. When heated to decomposition it emits very toxic fumes of NOx, SOx, and HCl. See also ALLYL COMPOUNDS. | Risk Codes | N/A |
| Molecular Structure |
![Molecular Structure of 132-19-4 (di(ethyl)[1-methyl-3,3-di(thien-2-yl)allyl]ammonium chloride)](http://www.lookchem.com/300w/2009423/img/132-19-4.gif_ms)
|
Hazard Symbols | 3 |
| Synonyms |
di(ethyl)[1-methyl-3,3-di(thien-2-yl)allyl]ammonium chloride |
N,N-Diethyl-1-methyl-3,3-di-2-thienyl-allylamine hydrochloride Chemical Properties
IUPAC Name: N,N-Diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine hydrochloride
Synonyms of N,N-Diethyl-1-methyl-3,3-di-2-thienyl-allylamine hydrochloride (CAS NO.132-19-4): 3-Diethylamino-1,1-di(2'-thienyl)but-1-ene hydrochloride ; Diethibutin hydrochloride ; Diethylthiambutene hydrochloride ; Themalon hydrochloride ; Thiambutene hydrochloride ; 3-Buten-2-amine, N,N-diethyl-4,4-di-2-thienyl-, hydrochloride (9CI) ; Allylamine, N,N-diethyl-3,3-di-2-thienyl-1-methyl-, hydrochloride ; Di(ethyl)(1-methyl-3,3-di(thien-2-yl)allyl)ammonium chloride
InChI: InChI=1/C16H21NS2.ClH/c1-4-17(5-2)13(3)12-14(15-8-6-10-18-15)16-9-7-11-19-16;/h6-13H,4-5H2,1-3H3;1H
InChIKey: AOBYZQVXPIBGCZ-UHFFFAOYAM
Std. InChI: InChI=1S/C16H21NS2.ClH/c1-4-17(5-2)13(3)12-14(15-8-6-10-18-15)16-9-7-11-19-16;/h6-13H,4-5H2,1-3H3;1H
Std. InChIKey: AOBYZQVXPIBGCZ-UHFFFAOYSA-N
CAS NO: 132-19-4
Molecular Formula: C16H22ClNS2
Molecular Weight: 327.9356
Molecular Structure : .png)
EINECS: 205-050-9
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 59.72 Å2
Flash Point: 195.4 °C
Enthalpy of Vaporization: 65.03 kJ/mol
Boiling Point: 399.5 °C at 760 mmHg
Vapour Pressure: 1.36E-06 mmHg at 25°C
N,N-Diethyl-1-methyl-3,3-di-2-thienyl-allylamine hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 16mg/kg (16mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: EXCITEMENT BEHAVIORAL: ANALGESIA | British Journal of Pharmacology and Chemotherapy. Vol. 8, Pg. 2, 1953. |
| mouse | LD50 | subcutaneous | 81mg/kg (81mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: EXCITEMENT BEHAVIORAL: ANALGESIA | British Journal of Pharmacology and Chemotherapy. Vol. 8, Pg. 2, 1953. |
| rat | LD50 | subcutaneous | 45mg/kg (45mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | British Journal of Pharmacology and Chemotherapy. Vol. 8, Pg. 2, 1953. |
N,N-Diethyl-1-methyl-3,3-di-2-thienyl-allylamine hydrochloride Safety Profile
Poison by ingestion, subcutaneous, and intravenous routes. An analgesic and narcotic used in veterinary medicine. When N,N-Diethyl-1-methyl-3,3-di-2-thienyl-allylamine hydrochloride (CAS NO.132-19-4) is heated to decomposition, it emits very toxic fumes of NOx, SOx, and HCl. See also ALLYL COMPOUNDS.
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