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CAS No.: | 616-68-2 |
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Name: | Trimecaine |
Molecular Structure: | |
Formula: | C15H24N2O |
Molecular Weight: | 248.368 |
Synonyms: | Acetanilide,2-(diethylamino)-2',4',6'-trimethyl- (6CI,8CI);2-(Diethylamino)-2',4',6'-trimethylacetanilide;Diethylglycinemesidide;Justecaina;Mesdicain;Mesidicaine;Mesokain;N-(Diethylaminoacetyl)-2,4,6-trimethylaniline;w-Diethylaminoacetylaminomesitylene;N2,N2-Diethyl-N-mesitylglycinamide; |
EINECS: | 210-487-3 |
Density: | 1.015 g/cm3 |
Melting Point: | 44° |
Boiling Point: | 360.298 °C at 760 mmHg |
Flash Point: | 171.702 °C |
Solubility: | soluble in water and ethanol |
Appearance: | white crystalline powder |
PSA: | 32.34000 |
LogP: | 2.96510 |
Conditions | Yield |
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With benzene |
Conditions | Yield |
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Multi-step reaction with 3 steps 1: aq.-ethanolic sulfuric acid / bei der elektrochemischen Reduktion 2: sodium acetate; aqueous acetic acid 3: benzene View Scheme |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: sodium acetate; aqueous acetic acid 2: benzene View Scheme |
trimecaine
allyl bromide
Allyl-diethyl-[(2,4,6-trimethyl-phenylcarbamoyl)-methyl]-ammonium; bromide
Conditions | Yield |
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In acetone at 70 - 90℃; for 9h; | 94% |
trimecaine
methyl iodide
Diethyl-methyl-[(2,4,6-trimethyl-phenylcarbamoyl)-methyl]-ammonium; iodide
Conditions | Yield |
---|---|
In acetone at 70 - 90℃; for 6h; | 94% |
trimecaine
benzyl chloride
Benzyl-diethyl-[(2,4,6-trimethyl-phenylcarbamoyl)-methyl]-ammonium; chloride
Conditions | Yield |
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In acetone at 70 - 90℃; for 14h; | 93% |
trimecaine
2-propynyl chloride
Diethyl-prop-2-ynyl-[(2,4,6-trimethyl-phenylcarbamoyl)-methyl]-ammonium; chloride
Conditions | Yield |
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In acetone at 70 - 90℃; for 10h; | 92% |
trimecaine
ethyl iodide
Triethyl-[(2,4,6-trimethyl-phenylcarbamoyl)-methyl]-ammonium; iodide
Conditions | Yield |
---|---|
In acetone at 70 - 90℃; for 10h; | 90% |
trimecaine
1-bromomethyl-2-chlorobenzene
(2-Chloro-benzyl)-diethyl-[(2,4,6-trimethyl-phenylcarbamoyl)-methyl]-ammonium; bromide
Conditions | Yield |
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In acetone at 70 - 90℃; for 15h; | 88% |
trimecaine
para-bromophenacyl bromide
[2-(4-Bromo-phenyl)-2-oxo-ethyl]-diethyl-[(2,4,6-trimethyl-phenylcarbamoyl)-methyl]-ammonium; bromide
Conditions | Yield |
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In acetone at 70 - 90℃; for 10h; | 87% |
The (Z)-Capsaicin, with the CAS registry number 616-68-2, is also known as 2-(Diethylamino)-N-mesitylacetamide. Its EINECS number is 210-487-3. This chemical's molecular formula is C15H24N2O and molecular weight is 248.36. What's more, its IUPAC name is 2-Diethylamino-N-(2,4,6-trimethylphenyl)acetamide. Its classification codes are: (1)Anesthetics; (2)Anesthetics, local; (3)Central Nervous System Agents; (4)Central Nervous System Depressants; (5)Drug / Therapeutic Agent; (6)Peripheral Nervous System Agents; (7)Sensory System Agents. This chemical is acetanilide derivative used as a local anesthetic. It is white crystalline powder readily soluble in water and ethanol. It is an active ingredient in products available under trademarks Mesdicain, Mesocain, Mesokain and others.
Physical properties of (Z)-Capsaicin are: (1)ACD/LogP: 2.7; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.48; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 19.62; (7)ACD/KOC (pH 5.5): 4.23; (8)ACD/KOC (pH 7.4): 207.32; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 32.34 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 77.252 cm3; (15)Molar Volume: 244.622 cm3; (16)Polarizability: 30.625×10-24cm3; (17)Surface Tension: 38.36 dyne/cm; (18)Density: 1.015 g/cm3; (19)Flash Point: 171.702 °C; (20)Enthalpy of Vaporization: 60.6 kJ/mol; (21)Boiling Point: 360.298 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1c(cc(cc1C)C)C)CN(CC)CC
(2)Std. InChI: InChI=1S/C15H24N2O/c1-6-17(7-2)10-14(18)16-15-12(4)8-11(3)9-13(15)5/h8-9H,6-7,10H2,1-5H3,(H,16,18)
(3)Std. InChIKey: GOZBHBFUQHMKQB-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LDLo | intravenous | 129mg/kg (129mg/kg) | Farmakologiya i Toksikologiya Vol. 39, Pg. 426, 1976. | |
mouse | LD50 | intraperitoneal | 180mg/kg (180mg/kg) | Pharmaceutical Chemistry Journal Vol. 23, Pg. 222, 1989. | |
mouse | LD50 | intravenous | 187mg/kg (187mg/kg) | Russian Pharmacology and Toxicology Vol. 50, Pg. 112, 1987. | |
mouse | LD50 | subcutaneous | 295mg/kg (295mg/kg) | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 48, Pg. 402, 1959. |