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132-19-4

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Basic Information
CAS No.: 132-19-4
Name: di(ethyl)[1-methyl-3,3-di(thien-2-yl)allyl]ammonium chloride
Molecular Structure:
Molecular Structure of 132-19-4 (di(ethyl)[1-methyl-3,3-di(thien-2-yl)allyl]ammonium chloride)
Formula: C16H21NS2•ClH
Molecular Weight: 327.96
Synonyms: di(ethyl)[1-methyl-3,3-di(thien-2-yl)allyl]ammonium chloride
Melting Point: 152-153 °C
Boiling Point: 399.5°C at 760 mmHg
Flash Point: 195.4°C
Hazard Symbols: 3
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.
PSA: 59.72000
LogP: 5.77360
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Chemistry

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 :
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

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.

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.