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Tripelennamine hydrochloride

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Name

Tripelennamine hydrochloride

EINECS 205-833-5
CAS No. 154-69-8 Density 1.20
PSA 19.37000 LogP 3.45180
Solubility N/A Melting Point 192-193 °C
Formula C16H22ClN3 Boiling Point 387.8 °C at 760 mmHg
Molecular Weight 291.824 Flash Point 188.3 °C
Transport Information N/A Appearance White solid
Safety 26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 154-69-8 (TRIPELENNAMINE HYDROCHLORIDE) Hazard Symbols HarmfulXn
Synonyms

1,2-Ethanediamine,N,N-dimethyl-N'-(phenylmethyl)-N'-2-pyridinyl-, monohydrochloride (9CI);Pyridine, 2-[benzyl[2-(dimethylamino)ethyl]amino]-, monohydrochloride (8CI);2-[Benzyl[2-(dimethylamino)ethyl]amino]pyridine hydrochloride;Dehistin monohydrochloride;N,N-Dimethyl-N'-(2-pyridyl)-N'-benzylethylenediamine hydrochloride;NIH 10186;PBZ;Piristin;Pyribenzamine monohydrochloride;Pyrinamine;ReCovr;Stanzamine;Tripelennamine hydrochloride;Tripelennamine monohydrochloride;Vetibenzamine;Vetobenzamina;

 

Tripelennamine hydrochloride Synthetic route

7647-01-0

hydrogenchloride

cobalt(II) chloride hexahydrate

154-69-8

tripelennamine hydrochloride

220156-62-7

N-benzyl-N',N'-dimethyl-N-(2-pyridinio)-1,2-ethanediammonium tetrachlorocobaltate(II)

Conditions
ConditionsYield
In hydrogenchloride equimolar amts. of CoCl2 and ligand, 6 M HCl; crystn. overnight, washing (EtOH), recrystn. (MeCN, room temp., slow evapn);
154-69-8

tripelennamine hydrochloride

cucurbit[7]uril

tripelennamine monohydrochloride-cucurbit[7]uril 1:1 complex

Conditions
ConditionsYield
In water pH=8;

Tripelennamine hydrochloride Specification

The Tripelennamine hydrochloride, also known as 1,2-Ethanediamine, N,N-dimethyl-N'-(phenylmethyl)-N'-2-pyridinyl-, monohydrochloride, is an organic compound with the formula C16H22ClN3. Its EINECS registry number is 205-833-5. With the CAS registry number 154-69-8, its IUPAC name is N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine hydrochloride. Tripelennamine hydrochloride is a white, crystalline material which is stable, nonhygroscopic, and readily soluble in water. Tripelennamine hydrochloride is characterized by its capacity to antagonize many of the pharmacologic effects of histamine.

Physical properties of Tripelennamine hydrochloride are: (1)ACD/LogP: 2.78; (2)ACD/LogD (pH 5.5): -0.32; (3)ACD/LogD (pH 7.4): 0.86; (4)ACD/BCF (pH 5.5): 1.00 ; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5):1.00; (7)ACD/KOC (pH 7.4): 9.21; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.594; (11)Molar Refractivity: 80.765 cm3; (12)Molar Volume: 238.124 cm3; (13)Polarizability: 32.018 10-24cm3; (14)Surface Tension: 46.1459999084473 dyne/cm; (15)Density: 1.072 g/cm3; (16)Flash Point: 188.343 °C; (17)Enthalpy of Vaporization: 63.693 kJ/mol; (18)Boiling Point: 387.814 °C at 760 mmHg

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2.Cl
(2)InChI: InChI=1S/C16H21N3.ClH/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H
(3)InChIKey: FSSICIQKZGUEAE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 20mg/kg (20mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1916, 1969.
 
dog LDLo oral 23mg/kg (23mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: EXCITEMENT
Bulletin of the Johns Hopkins Hospital. Vol. 81, Pg. 55, 1947.
guinea pig LD50 oral 150mg/kg (150mg/kg)   Journal of Allergy. Vol. 27, Pg. 57, 1956.
 
guinea pig LD50 subcutaneous 30mg/kg (30mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: TREMOR
Journal of Pharmacology and Experimental Therapeutics. Vol. 113, Pg. 72, 1955.
 
hamster LD50 intravenous 13mg/kg (13mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Journal of Pharmacology and Experimental Therapeutics. Vol. 97, Pg. 371, 1949.
 
man LDLo unreported 15mg/kg (15mg/kg)   "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.
mouse LD50 intraperitoneal 47mg/kg (47mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Clinical Toxicology. Vol. 16, Pg. 17, 1980.
 
mouse LD50 intravenous 9mg/kg (9mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Journal of Pharmacology and Experimental Therapeutics. Vol. 92, Pg. 249, 1948.
mouse LD50 oral 97mg/kg (97mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 488, 1950.
 
mouse LD50 subcutaneous 41mg/kg (41mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR
Journal of Pharmacology and Experimental Therapeutics. Vol. 113, Pg. 72, 1955.
 
rabbit LD50 intravenous 9mg/kg (9mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Laboratory and Clinical Medicine. Vol. 31, Pg. 749, 1946.
rabbit LD50 subcutaneous 33mg/kg (33mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Laboratory and Clinical Medicine. Vol. 31, Pg. 749, 1946.
rat LD50 intravenous 12mg/kg (12mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Journal of Laboratory and Clinical Medicine. Vol. 31, Pg. 749, 1946.
rat LD50 oral 469mg/kg (469mg/kg)   Journal of Pharmaceutical Sciences. Vol. 69, Pg. 1198, 1980.
 
rat LD50 subcutaneous 75mg/kg (75mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 78, Pg. 708, 1951.
 

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