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
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. |
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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